TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T16347 Protein-tyrosine phosphatase 1B D0Z3DY Benzbromarone Approved 2333 C17H12Br2O3 424.1 CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br IC50 = 53800 nM Poor binder T16347 Protein-tyrosine phosphatase 1B D0W8WB Berberine Phase 4 2353 C20H18NO4+ 336.4 COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC IC50 = 67000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B D0T8QB GLYCYRRHIZIN Phase 3 14982 C42H62O16 822.9 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B01YET 2-Bromoacetophenone Investigative 6259 C8H7BrO 199.04 C1=CC=C(C=C1)C(=O)CBr Ki = 81000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B02JCZ [4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenyl]methylphosphonic acid Investigative 44450333 C23H22N3O5PS2 515.5 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)CP(=O)(O)O)CC3=CC=C(C=C3)C4=CSN=N4 IC50 = 123000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0AG3X Chembl4216013 Investigative 145973266 C17H22O2 258.35 CC1=CC(=CC2=C1[C@H]3[C@@H]4[C@H](C3(C)C)CC[C@@]4(O2)C)O IC50 = 58200 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0E2WQ Licoflavone A Investigative 5319000 C20H18O4 322.4 CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)C IC50 = 54500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0GX5R N-(4,5-Diphenyl-2-thiazolyl)-2-(2-furyl)ethenesulfonamide Investigative 44337799 C21H16N2O3S2 408.5 C1=CC=C(C=C1)C2=C(SC(=N2)NS(=O)(=O)/C=C/C3=CC=CO3)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0INB7 (2S)-7-Hydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one Investigative 73354070 C25H28O5 408.5 CC(=CCC1=C(C=CC2=C1O[C@@H](CC2=O)C3=CC4=C(C=C3)OC(C(C4)O)(C)C)O)C IC50 = 52200 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0MIT9 Chembl4280516 Investigative 145982366 C24H19N3S 381.5 C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/NC(=S)NC3=CC=CC4=CC=CC=C43 IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0NL1U Azane;[(3S)-3-(methylcarbamoyl)-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Investigative 49797141 C20H26N4O5S 434.5 CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O.N IC50 = 64400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0O7WX Estramustine phosphate Investigative 259329 C23H32Cl2NO6P 520.4 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl IC50 = 62400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0PIR1 Sulfuric acid mono-[1-(naphthalen-1-ylmethoxymethyl)-3-phenyl-propyl] ester Investigative 44303684 C21H22O5S 386.5 C1=CC=C(C=C1)CCC(COCC2=CC=CC3=CC=CC=C32)OS(=O)(=O)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0U3JV Azane;[(3S)-3-(methylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Investigative 49797139 C16H26N4O6S 402.5 CC(C)(C)OC(=O)N1CC2=C(C[C@H]1C(=O)NC)C=CC(=C2)NS(=O)(=O)O.N IC50 = 134800 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0W4ZV CID 58746680 Investigative 58746680 C29H30N4O7S 578.6 C1C(S(=O)(=O)NC1=O)C2=CC=C(C=C2)C[C@@H](C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)O IC50 = 169824.37 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0W6FB (2S)-N-[(2S)-1-Amino-1-oxo-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]propan-2-yl]-3-phenyl-2-[(2-phenylacetyl)amino]propanamide Investigative 58746519 C29H30N4O6S 562.6 C1C(S(=O)(=O)NC1=O)C2=CC=C(C=C2)C[C@@H](C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC=CC=C4 IC50 = 179887.09 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0W8ID 2-[(3,4-Dichlorobenzyl)sulfanyl]-4-(4-Hydroxybut-1-Yn-1-Yl)benzoic Acid Investigative 54751679 C18H14Cl2O3S 381.3 C1=CC(=C(C=C1CSC2=C(C=CC(=C2)C#CCCO)C(=O)O)Cl)Cl IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0WNO9 Gypensapogenin C Investigative 57395175 C30H46O2 438.7 CC(=C1CC=C(C1=O)[C@H]2CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0X9UM Ethyl (E)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethenesulfonate Investigative 70691129 C22H23NO5S 413.5 CCOS(=O)(=O)/C=C/C1=CC=C(C=C1)OCCC2=C(OC(=N2)C3=CC=CC=C3)C IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B0ZUY7 1-[(1S,4As,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]but-3-yn-2-yl hydrogen sulfate Investigative 44303433 C18H28O4S 340.5 CC1=CC[C@@H]2[C@@]([C@H]1CC(C#C)OS(=O)(=O)O)(CCCC2(C)C)C IC50 = 160000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B12KGR alpha,alpha-Difluoro-3-[bis(methylsulfonyl)amino]-4-[(E)-styryl]benzylphosphonic acid Investigative 15486042 C17H18F2NO7PS2 481.4 CS(=O)(=O)N(C1=C(C=CC(=C1)C(F)(F)P(=O)(O)O)/C=C/C2=CC=CC=C2)S(=O)(=O)C IC50 = 57900 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B12MWQ 3-[3-[4-[[(2R,3R,4S,5R,6S)-3,4,5-Tribenzoyloxy-6-methoxyoxan-2-yl]methoxymethyl]triazol-1-yl]propoxy]benzoic acid Investigative 56671798 C41H39N3O12 765.8 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CN(N=N2)CCCOC3=CC=CC(=C3)C(=O)O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 IC50 = 64600 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B13SCI (2S,3S)-2-[[(3S,6S,9S,12S,15S)-3-Benzyl-12-[(2S)-butan-2-yl]-6-(1H-indol-3-ylmethyl)-7-methyl-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid Investigative 11844603 C46H66N8O8 859.1 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)N[C@@H]([C@@H](C)CC)C(=O)O)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)C)CC(C)C IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1EL4N (S)-4-Benzyloxycarbonylamino-4-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-2-(4-carboxymethoxy-phenyl)-ethylcarbamoyl]-butyric acid benzyl ester Investigative 44320886 C37H44N4O10 704.8 CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)OCC(=O)O)NC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 IC50 = 72000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1FQ7T 4-[[(4E)-3-Benzyl-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]benzoic acid Investigative 122193548 C25H20N2O5 428.4 C1=CC=C(C=C1)CN2/C(=C/C3=CC=C(C=C3)O)/C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)O IC50 = 104000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1K2AI 2-[4-[[4-(Carboxymethylsulfanyl)phenyl]methyl-[[4-(thiadiazol-4-yl)phenyl]methyl]sulfamoyl]phenoxy]acetic acid Investigative 44450251 C26H23N3O7S3 585.7 C1=CC(=CC=C1CN(CC2=CC=C(C=C2)SCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OCC(=O)O)C4=CSN=N4 IC50 = 114000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1K8ZQ 2-[4-[(2S,5R)-5-Carbamoyl-2-[[(2S)-2-[[2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]acetyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]-7-methyl-3-oxooctyl]phenoxy]acetic acid Investigative 44397525 C41H49N7O10 799.9 CC(C)C[C@H](CC(=O)[C@H](CC1=CC=C(C=C1)OCC(=O)O)NC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)CC3=NN(N=N3)CC4=CC=C(C=C4)OC)C(=O)N IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1LC8H Butyl (E)-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethenesulfonate Investigative 70695329 C24H27NO5S 441.5 CCCCOS(=O)(=O)/C=C/C1=CC=C(C=C1)OCCC2=C(OC(=N2)C3=CC=CC=C3)C IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1LEQ5 2-[4-[(2S,5R)-5-Carbamoyl-7-methyl-2-[[(2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]-3-oxooctyl]phenoxy]acetic acid Investigative 44397524 C37H45N5O11 735.8 CC1=CN(C(=O)NC1=O)CC(=O)N[C@@H](CCC(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)OCC(=O)O)C(=O)C[C@@H](CC(C)C)C(=O)N IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1N7MR [4-({[(Benzyl-methyl-carbamoyl)-methyl]-[4-(difluoro-phosphono-methyl)-benzyl]-amino}-methyl)-phenoxy]-acetic acid Investigative 44404306 C27H29F2N2O7P 562.5 CN(CC1=CC=CC=C1)C(=O)CN(CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)CC3=CC=C(C=C3)OCC(=O)O IC50 = 67500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1NSO3 5-(1-Hydroxy-2-methylpropylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione Investigative 54706178 C10H14O5 214.21 CC(C)C(=C1C(=O)OC(OC1=O)(C)C)O IC50 = 72700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1NY9O [1-(2-Methyl-2,3-dihydrobenzimidazol-1-yl)-4-phenylbutan-2-yl] hydrogen sulfate Investigative 44303685 C18H22N2O4S 362.4 CC1NC2=CC=CC=C2N1CC(CCC3=CC=CC=C3)OS(=O)(=O)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1OQ3C Kanzonol U Investigative 10542808 C19H16O4 308.3 CC1(C=CC2=C(C=CC(=C2O1)C3=CC4=C(O3)C=C(C=C4)O)O)C IC50 = 62700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1PCX9 Cefsulodin sodium salt Investigative 57514697 C22H20N4O8S2 532.6 C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)O)C[N+]4=CC=C(C=C4)C(=O)N IC50 = 190000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B1PF7V 3-Hydroxy-2-(hydroxymethyl)-4-[N-[(2-hydroxyphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one Investigative 136069445 C28H43NO5 473.6 CCCCCCCCCCCCCCCC(=NCC1=CC=CC=C1O)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B23FOA 2-Amino-4,5-diphenyl-6-(methylthio)benzene-1,3-dicarbonitrile Investigative 44138095 C21H15N3S 341.4 CSC1=C(C(=C(C(=C1C#N)N)C#N)C2=CC=CC=C2)C3=CC=CC=C3 IC50 = 58000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B24ERC [Fluoro-[7-[fluoro(phosphono)methyl]naphthalen-2-yl]methyl]phosphonic acid Investigative 44344614 C12H12F2O6P2 352.16 C1=CC(=CC2=C1C=CC(=C2)C(F)P(=O)(O)O)C(F)P(=O)(O)O IC50 = 130000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B25EQX CID 58746630 Investigative 58746630 C30H32N4O7S 592.7 COC1=CC=C(C=C1)CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)C4CC(=O)NS4(=O)=O)C(=O)N IC50 = 169824.37 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B27PNV 2-[2-Ethyl-N-(2-oxopropanoyl)anilino]benzoic acid Investigative 76326107 C18H17NO4 311.3 CCC1=CC=CC=C1N(C2=CC=CC=C2C(=O)O)C(=O)C(=O)C Ki = 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2AF9S Nakitriol Investigative 10420098 C11H12O3 192.21 C=C/C=C(/CO)\\C1=C(C=CC(=C1)O)O IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2BKD3 9-Ethoxymethyl-4-methyl-9-(4-methyl-piperazin-1-ylmethyl)-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione Investigative 46879575 C22H28N2O5 400.5 CCOCC1(COC2=C(C1=O)C3=C(C=C2)C(=CC(=O)O3)C)CN4CCN(CC4)C IC50 = 65500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2D5GF 3-Benzyl-5-bromo-2-hydroxybenzoic acid Investigative 13922432 C14H11BrO3 307.14 C1=CC=C(C=C1)CC2=C(C(=CC(=C2)Br)C(=O)O)O IC50 = 148000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2F5EC 2-[4-[[[4-(Carboxymethoxy)phenyl]sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenyl]-2-methylpropanedioic acid Investigative 44450310 C28H25N3O9S2 611.6 CC(C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C3=CSN=N3)S(=O)(=O)C4=CC=C(C=C4)OCC(=O)O)(C(=O)O)C(=O)O IC50 = 74200 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2GL0D [1-[(1S,4As,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-phenylpropan-2-yl] hydrogen sulfate Investigative 44303451 C23H34O4S 406.6 CC1=CC[C@@H]2[C@@]([C@H]1CC(CC3=CC=CC=C3)OS(=O)(=O)O)(CCCC2(C)C)C IC50 = 87000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2GSE5 5-(3-Butyramidophenyl)isoxazole-3-carboxylic acid Investigative 44344024 C14H14N2O4 274.27 CCCC(=O)NC1=CC=CC(=C1)C2=CC(=NO2)C(=O)O Ki = 125892.54 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2H1US 5-{[4-(Phenylmethoxy)phenyl]methylene}-1,3-diazolidine-2,4-dione Investigative 6377130 C17H14N2O3 294.3 C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/3\\C(=O)NC(=O)N3 IC50 = 170000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2L1TR 5-{2-Fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid Investigative 447994 C21H16FNO7 413.4 COC(=O)C1=C(C=CC=C1OC/C=C/C2=CC(=C(C=C2)F)C3=CC(=NO3)C(=O)O)O IC50 = 110000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2LEY1 Ethyl 2-[(5E)-5-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-2,4-dioxoimidazolidin-1-yl]acetate Investigative 60152176 C18H20N2O7 376.4 CCOC(=O)CN1/C(=C/C2=CC=C(C=C2)OCC(=O)OCC)/C(=O)NC1=O IC50 = 133000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2RFT5 2-[2,3-Dihydro-1,4-benzodioxin-6-yl(oxalo)amino]benzoic acid Investigative 45267803 C17H13NO7 343.29 C1COC2=C(O1)C=CC(=C2)N(C3=CC=CC=C3C(=O)O)C(=O)C(=O)O Ki = 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2T3VF 5-[(E)-2-(4-Carboxy-5-hydroxyphenyl)vinyl]-3-(furan-2-yl)-2-methoxybenzoic acid Investigative 44563617 C21H16O7 380.3 COC1=C(C=C(C=C1C(=O)O)/C=C/C2=CC(=C(C=C2)C(=O)O)O)C3=CC=CO3 IC50 = 194000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2U5FR Azane;[(3S)-3-(methylcarbamoyl)-2-(2-phenoxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Investigative 49797140 C19H24N4O6S 436.5 CNC(=O)[C@@H]1CC2=C(CN1C(=O)COC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O.N IC50 = 95300 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2VDZ3 4-(N-Benzyl-C-pentadecylcarbonimidoyl)-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one Investigative 135955126 C28H43NO4 457.6 CCCCCCCCCCCCCCCC(=NCC1=CC=CC=C1)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B2XVS3 2-(3-Bromoanilino)-5-hydroxybenzothiazole-6-carboxylic acid Investigative 101884098 C14H9BrN2O3S 365.2 C1=CC(=CC(=C1)Br)NC2=NC3=C(S2)C=C(C(=C3)O)C(=O)O IC50 = 65000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B34LZC 3-Hydroxybenzoic acid Investigative 7420 C7H6O3 138.12 C1=CC(=CC(=C1)O)C(=O)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B36FIB 3-(2,4-Dimethoxyphenyl)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazole Investigative 76326418 C16H16N2O3 284.31 COC1=CC(=C(C=C1)C2=NOC(C2)C3=CC=CC=N3)OC Ki = 170000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B36JDQ (S)-2-(4-(Benzamidomethyl)-1H-1,2,3-triazol-1-yl)-3-(4-hydroxyphenyl)propanoic acid Investigative 53320581 C19H18N4O4 366.4 C1=CC=C(C=C1)C(=O)NCC2=CN(N=N2)[C@@H](CC3=CC=C(C=C3)O)C(=O)O IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B36NGB 2-[4-[(2S,5R)-5-Carbamoyl-2-[[(2S)-2-[4-(1H-indol-3-yl)butanoylamino]-5-oxo-5-phenylmethoxypentanoyl]amino]-7-methyl-3-oxooctyl]phenoxy]acetic acid Investigative 44397523 C42H50N4O9 754.9 CC(C)C[C@H](CC(=O)[C@H](CC1=CC=C(C=C1)OCC(=O)O)NC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)CCCC3=CNC4=CC=CC=C43)C(=O)N IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B36NLR 3-(3,4-Dichlorobenzyloxy)thiophene-2-carboxylic acid Investigative 54757811 C12H8Cl2O3S 303.2 C1=CC(=C(C=C1COC2=C(SC=C2)C(=O)O)Cl)Cl IC50 = 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B37DAX 2-[4-[[4-(Carboxymethoxy)-3-methylphenyl]methyl-[[4-(thiadiazol-4-yl)phenyl]methyl]sulfamoyl]phenoxy]acetic acid Investigative 44450265 C27H25N3O8S2 583.6 CC1=C(C=CC(=C1)CN(CC2=CC=C(C=C2)C3=CSN=N3)S(=O)(=O)C4=CC=C(C=C4)OCC(=O)O)OCC(=O)O IC50 = 76200 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B37QCE 2-[(5,7-Diamino-pyrimido[5,4-e][1,2,4]triazin-3-ylmethyl)-(2-hydroxy-ethyl)-amino]-ethanol Investigative 44329967 C10H16N8O2 280.29 C(CO)N(CCO)CC1=NC2=C(N=C(N=C2N=N1)N)N IC50 = 97000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3BPG6 3-(4,7-Dimethoxybenzofuran-5-yl)-5-phenyl-4,5-dihydroisoxazole Investigative 11948628 C19H17NO4 323.3 COC1=C2C(=C(C(=C1)C3=NOC(C3)C4=CC=CC=C4)OC)C=CO2 IC50 = 76000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3C0QR 6-(1-(2-Carboxy-1-phenylethylamino)-4-methyl-1-oxopentan-2-yl)-1-cyanoindolizine-3-carboxylic acid Investigative 44405951 C25H25N3O5 447.5 CC(C)CC(C1=CN2C(=C(C=C2C(=O)O)C#N)C=C1)C(=O)NC(CC(=O)O)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3DOU5 3-(3,4-Dichlorobenzylsulfonyl)thiophene-2-carboxylic acid Investigative 54757813 C12H8Cl2O4S2 351.2 C1=CC(=C(C=C1CS(=O)(=O)C2=C(SC=C2)C(=O)O)Cl)Cl IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3F1RW Methyl 2-[(4E)-3-benzyl-2,5-dioxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazolidin-1-yl]acetate Investigative 122193486 C27H24N2O5 456.5 COC(=O)CN1C(=O)/C(=C\\C2=CC=C(C=C2)OCC3=CC=CC=C3)/N(C1=O)CC4=CC=CC=C4 IC50 = 110000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3MTA2 (2S)-7-Hydroxy-2-(3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,3-dihydrochromen-4-one Investigative 44589233 C20H20O7 372.4 CC1(C(C(C2=C(O1)C(=CC(=C2)[C@@H]3CC(=O)C4=C(O3)C=C(C=C4)O)O)O)O)C IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3NTF7 Chembl4217308 Investigative 145973093 C22H13Cl2NO4 426.2 C1=CC=C(C=C1)C2=C(C(=NO2)C(=O)O)C3=CC=CC(=C3)C4=CC(=C(C(=C4)Cl)O)Cl IC50 = 127000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3O6SE 4-(3-(4-Acetoxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl)acryloyl)phenyl acetate Investigative 11069872 C25H26O6 422.5 CC(=O)OC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2OC)OC(=O)C)C(C)(C)C=C IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3SOV2 Tetrahydroisoquinoline (TIQ) deriv. 9c Investigative 11155758 C23H29N3O6S 475.6 CC(C)(C)OC(=O)N1CC2=C(C[C@H]1C(=O)NCCC3=CC=CC=C3)C=CC(=C2)NS(=O)(=O)O IC50 = 51400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3SXE5 2-[4-[2-(1,3-Benzoxazol-2-yl)-2-(benzoylsulfamoyl)ethyl]anilino]-2-oxoacetic acid Investigative 71602705 C24H19N3O7S 493.5 C1=CC=C(C=C1)C(=O)NS(=O)(=O)C(CC2=CC=C(C=C2)NC(=O)C(=O)O)C3=NC4=CC=CC=C4O3 Ki = 125000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3U6ZR 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenyl]sulfinylacetic acid Investigative 44450245 C24H21N3O5S3 527.6 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC=C(C=C4)S(=O)CC(=O)O IC50 = 173000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3UY2T 3-(4-Methyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine Investigative 18003344 C11H17N9 275.31 CN1CCN(CC1)CC2=NC3=C(N=C(N=C3N=N2)N)N IC50 = 87000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3VYR4 5-(1H-Indol-3-ylmethyl)-3-[5-(3-methylphenyl)thiophen-2-yl]-1,2,4-oxadiazole Investigative 127025572 C22H17N3OS 371.5 CC1=CC(=CC=C1)C2=CC=C(S2)C3=NOC(=N3)CC4=CNC5=CC=CC=C54 IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B3XOU1 2-[4-[2-(1H-Benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl]anilino]-2-oxoacetic acid Investigative 71602468 C23H19FN4O5S 482.5 C1=CC=C2C(=C1)NC(=N2)C(CC3=CC=C(C=C3)NC(=O)C(=O)O)S(=O)(=O)NC4=CC=C(C=C4)F Ki = 67500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B47VWI cis-4-(4-(Hydroxymethyl)styryl)benzene-1,2-diol Investigative 44432621 C15H14O3 242.27 C1=CC(=CC=C1CO)/C=C\\C2=CC(=C(C=C2)O)O IC50 = 137500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B48BQE 2-[4-[[4-(Phosphonomethyl)phenyl]methyl-[[4-(thiadiazol-4-yl)phenyl]methyl]sulfamoyl]phenoxy]acetic acid Investigative 44450344 C25H24N3O8PS2 589.6 C1=CC(=CC=C1CN(CC2=CC=C(C=C2)C3=CSN=N3)S(=O)(=O)C4=CC=C(C=C4)OCC(=O)O)CP(=O)(O)O IC50 = 96800 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B49HDV 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenoxy]acetic acid Investigative 44450321 C24H21N3O5S2 495.6 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC=C(C=C4)OCC(=O)O IC50 = 54100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4AT5M 2-Bromo-1-(naphthalen-1-yl)ethanone Investigative 3830513 C12H9BrO 249.1 C1=CC=C2C(=C1)C=CC=C2C(=O)CBr Ki = 92000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4B6XZ (-)-Moracin P Investigative 25208124 C19H18O5 326.3 CC1([C@@H](CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C IC50 ~ 80000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4BN2A Glabridin Investigative 124052 C20H20O4 324.4 CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C=C(C=C4)O)O)C IC50 = 73400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4DKT2 2-[2-Bromo-4-[[[4-(carboxymethoxy)phenyl]sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenoxy]-2,2-difluoroacetic acid Investigative 44450331 C26H20BrF2N3O8S2 684.5 C1=CC(=CC=C1CN(CC2=CC(=C(C=C2)OC(C(=O)O)(F)F)Br)S(=O)(=O)C3=CC=C(C=C3)OCC(=O)O)C4=CSN=N4 IC50 = 77900 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4H2QN Globuxanthone Investigative 60148490 C18H16O5 312.3 CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)O IC50 = 73200 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4P2VO (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5S)-2,5-Dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol Investigative 71718556 C30H52O4 476.7 CC(=C)[C@H](CC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)O IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4PQ5Z 2-Hydroxy-3,5-diphenylbenzoic acid Investigative 25101399 C19H14O3 290.3 C1=CC=C(C=C1)C2=CC(=C(C(=C2)C(=O)O)O)C3=CC=CC=C3 IC50 = 84000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4S0YM 2-Bromo-4'-nitroacetophenone Investigative 66840 C8H6BrNO3 244.04 C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-] Ki = 195000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4U1GW 2-Amino-4-(4-methoxyphenyl)-5-phenyl-6-(methylthio)benzene-1,3-dicarbonitrile Investigative 44138096 C22H17N3OS 371.5 COC1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)SC)C#N)N)C#N IC50 = 86000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4XBD1 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]-2-chlorophenoxy]acetic acid Investigative 44450274 C24H20ClN3O5S2 530 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC(=C(C=C4)OCC(=O)O)Cl IC50 = 53800 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4XW5G N-[2-(4-Methoxyphenyl)ethyl]-2-naphthalen-1-yl-acetamide Investigative 2710079 C21H21NO2 319.4 COC1=CC=C(C=C1)CCNC(=O)CC2=CC=CC3=CC=CC=C32 IC50 = 69000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4Y3FZ Glabone Investigative 11346860 C18H12O4 292.3 COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C4C(=C3)C=CO4 IC50 = 68800 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B4YU3R 2-[4-[2-(1,3-Benzoxazol-2-yl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]ethyl]anilino]-2-oxoacetic acid Investigative 71602754 C26H25N3O7S 523.6 CC(C)OC1=CC=C(C=C1)NS(=O)(=O)C(CC2=CC=C(C=C2)NC(=O)C(=O)O)C3=NC4=CC=CC=C4O3 Ki = 92000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B53DXY 5-(1-Hydroxybutylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione Investigative 68122136 C10H14O5 214.21 CCCC(=C1C(=O)OC(OC1=O)(C)C)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B56XED 4-[N-[(3-Chlorophenyl)methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one Investigative 135797392 C28H42ClNO4 492.1 CCCCCCCCCCCCCCCC(=NCC1=CC(=CC=C1)Cl)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B57GHE Dithiolan-4-yl furan-3-carboxylate Investigative 72163424 C8H8O3S2 216.3 C1C(CSS1)OC(=O)C2=COC=C2 IC50 = 78190 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B57YDQ 5-[({3-[(3,4-Dichlorobenzyl)sulfanyl]thiophen-2-Yl}carbonyl)sulfamoyl]-2-Methoxybenzoic Acid Investigative 54751678 C20H15Cl2NO6S3 532.4 COC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=C(C=CS2)SCC3=CC(=C(C=C3)Cl)Cl)C(=O)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B58ZFG 7-(((S)-1-(2-Carboxy-1-phenylethylamino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-1-cyanoindolizine-3-carboxylic acid Investigative 44405932 C26H26N4O6 490.5 CC(C)C[C@@H](C(=O)NC(CC(=O)O)C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C(N3C=C2)C(=O)O)C#N IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B5B1GW 4-(Hydroxymethyl)-5-(3-iodophenyl)-1,2-oxazole-3-carboxylic acid Investigative 45268794 C11H8INO4 345.09 C1=CC(=CC(=C1)I)C2=C(C(=NO2)C(=O)O)CO Ki = 125892.54 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B5D3BQ 2-[4-[2-(1H-Benzimidazol-2-yl)-2-[(4-fluorophenyl)-methylsulfamoyl]ethyl]anilino]-2-oxoacetic acid Investigative 71602470 C24H21FN4O5S 496.5 CN(C1=CC=C(C=C1)F)S(=O)(=O)C(CC2=CC=C(C=C2)NC(=O)C(=O)O)C3=NC4=CC=CC=C4N3 Ki = 125000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B5DAY4 2-[(S)-(4-Bromoanilino)-diethoxyphosphorylmethyl]phenol Investigative 57397768 C17H21BrNO4P 414.2 CCOP(=O)([C@@H](C1=CC=CC=C1O)NC2=CC=C(C=C2)Br)OCC IC50 = 91700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B5FRD7 7-[(1-Hydroxy-1-phenylpropan-2-yl)amino]quinoline-5,8-dione Investigative 386231 C18H16N2O3 308.3 CC(C(C1=CC=CC=C1)O)NC2=CC(=O)C3=C(C2=O)N=CC=C3 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B5M0IY 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenoxy]-2,2-difluoroacetic acid Investigative 44450295 C24H19F2N3O5S2 531.6 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC=C(C=C4)OC(C(=O)O)(F)F IC50 = 97100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B5N3CH 2-Bromo-1-(pyridin-2-yl)ethanone Investigative 38384 C7H6BrNO 200.03 C1=CC=NC(=C1)C(=O)CBr Ki = 173000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B5NYZ0 Tetrahydroisoquinoline (TIQ) deriv. 10g Investigative 23646404 C21H23N3O9S 493.5 CNC(=O)[C@@H]1CC2=C(CN1C(=O)COC3=CC=CC(=C3C(=O)OC)O)C=C(C=C2)NS(=O)(=O)O IC50 = 93400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B5WN4V 3-((S)-2-(3-Benzoyl-1-cyanoindolizin-5-yloxy)-4-methylpentanamido)-3-phenylpropanoic acid Investigative 11678073 C31H29N3O5 523.6 CC(C)C[C@@H](C(=O)NC(CC(=O)O)C1=CC=CC=C1)OC2=CC=CC3=C(C=C(N32)C(=O)C4=CC=CC=C4)C#N IC50 = 85100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B5Z0EG Chembl4211055 Investigative 145965718 C17H22O2 258.35 CC1=CC(=CC2=C1C[C@@H]3[C@@H](CC[C@@]3(O2)C)C(=C)C)O IC50 = 61000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B61ACQ 4-[N-[[2-(Dimethylamino)phenyl]methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one Investigative 136254280 C30H48N2O4 500.7 CCCCCCCCCCCCCCCC(=NCC1=CC=CC=C1N(C)C)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B64DYN 4-[[(4E)-3-Benzyl-2,5-dioxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazolidin-1-yl]methyl]benzoic acid Investigative 122193546 C32H26N2O5 518.6 C1=CC=C(C=C1)CN2/C(=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)/C(=O)N(C2=O)CC5=CC=C(C=C5)C(=O)O IC50 = 96000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B65FIV 5-((S)-1-(2-Carboxy-1-phenylethylamino)-4-methyl-1-oxopentan-2-yloxy)-1-cyanoindolizine-3-carboxylic acid Investigative 44405958 C25H25N3O6 463.5 CC(C)C[C@@H](C(=O)NC(CC(=O)O)C1=CC=CC=C1)OC2=CC=CC3=C(C=C(N32)C(=O)O)C#N IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6BR0N (E)-3-(2,4-Dinitrostyryl)benzene-1,2-diol Investigative 44432625 C14H10N2O6 302.24 C1=CC(=C(C(=C1)O)O)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] IC50 = 168000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6CWA0 Erythribyssin K Investigative 56659163 C16H12O5 284.26 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)C=O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6EQC0 Azane;4-[(3S)-3-(methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoic acid Investigative 49797135 C15H22N4O7S 402.4 CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC(=O)O)C=C(C=C2)NS(=O)(=O)O.N IC50 = 153500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6F9GS 2-[4-[[4-(Carboxymethoxy)-3-chlorophenyl]methyl-[[4-(thiadiazol-4-yl)phenyl]methyl]sulfamoyl]phenoxy]acetic acid Investigative 44450283 C26H22ClN3O8S2 604.1 C1=CC(=CC=C1CN(CC2=CC(=C(C=C2)OCC(=O)O)Cl)S(=O)(=O)C3=CC=C(C=C3)OCC(=O)O)C4=CSN=N4 IC50 = 57700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6G1HU 3-(4-Hydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one Investigative 12458245 C17H14O5 298.29 COC1=CC2=C(C(=C1)OC)C(=O)C(=CO2)C3=CC=C(C=C3)O IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6H2DV 2-[4-[(2S,5R)-5-Carbamoyl-2-[[(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-5-oxo-5-phenylmethoxypentanoyl]amino]-7-methyl-3-oxooctyl]phenoxy]acetic acid Investigative 44397522 C41H48N4O9 740.8 CC(C)C[C@H](CC(=O)[C@H](CC1=CC=C(C=C1)OCC(=O)O)NC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)CCC3=CNC4=CC=CC=C43)C(=O)N IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6MI4U 4-[2-[3-[(2-Aminoacetyl)amino]phenyl]ethynyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]benzoic acid Investigative 54758004 C24H18Cl2N2O3S 485.4 C1=CC(=CC(=C1)NC(=O)CN)C#CC2=CC(=C(C=C2)C(=O)O)SCC3=CC(=C(C=C3)Cl)Cl IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6OSK4 5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione Investigative 54693142 C8H10O5 186.16 CC(=C1C(=O)OC(OC1=O)(C)C)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6Q7TJ 5-(1H-Indol-3-ylmethyl)-3-[3-(4-propylphenyl)phenyl]-1,2,4-oxadiazole Investigative 127027706 C26H23N3O 393.5 CCCC1=CC=C(C=C1)C2=CC(=CC=C2)C3=NOC(=N3)CC4=CNC5=CC=CC=C54 IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6QX9G 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]-2-bromophenoxy]-2,2-difluoroacetic acid Investigative 44450318 C24H18BrF2N3O5S2 610.5 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC(=C(C=C4)OC(C(=O)O)(F)F)Br IC50 = 52100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6SDC3 5-(3-((Tert-Butoxycarbonyl)amino)phenyl)isoxazole-3-carboxylic acid Investigative 45270378 C15H16N2O5 304.3 CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2=CC(=NO2)C(=O)O Ki = 199526.23 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6TNJ9 3-(3-Chlorobenzylthio)thiophene-2-carboxylic acid Investigative 54757715 C12H9ClO2S2 284.8 C1=CC(=CC(=C1)Cl)CSC2=C(SC=C2)C(=O)O IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6UD9J 4-[2-(3-Chlorophenyl)ethynyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]benzoic acid Investigative 54758005 C22H13Cl3O2S 447.8 C1=CC(=CC(=C1)Cl)C#CC2=CC(=C(C=C2)C(=O)O)SCC3=CC(=C(C=C3)Cl)Cl IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B6Z9IW 2-Bromo-1-(4-fluorophenyl)ethanone Investigative 96749 C8H6BrFO 217.03 C1=CC(=CC=C1C(=O)CBr)F Ki = 56000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B70HQG 3-Hydroxy-2-(hydroxymethyl)-4-[N-[(3-methylphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one Investigative 135797387 C29H45NO4 471.7 CCCCCCCCCCCCCCCC(=NCC1=CC=CC(=C1)C)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B76RDG 5-Benzyl-3-Bromo-2-hydroxybenzoic acid Investigative 25101398 C14H11BrO3 307.14 C1=CC=C(C=C1)CC2=CC(=C(C(=C2)Br)O)C(=O)O IC50 = 153000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B78VKF 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]-2-methylphenoxy]acetic acid Investigative 44450263 C25H23N3O5S2 509.6 CC1=C(C=CC(=C1)CN(CC2=CC=C(C=C2)C3=CSN=N3)S(=O)(=O)C4=CC=CC=C4)OCC(=O)O IC50 = 80700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7BU5X 3-Morpholin-4-ylmethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine Investigative 12109539 C10H14N8O 262.27 C1COCCN1CC2=NC3=C(N=C(N=C3N=N2)N)N IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7CK5T 1,2,7-Trihydroxyxanthen-9-one Investigative 137638732 C13H8O5 244.2 C1=CC2=C(C=C1O)C(=O)C3=C(O2)C=CC(=C3O)O IC50 = 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7CL2G (E)-N-(5-Ethyl-4-phenyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylethenesulfonamide Investigative 44337562 C23H20N2O2S2 420.6 CCC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7D2WZ Azane;[(3S)-3-(methylcarbamoyl)-2-(5-phenylpentanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Investigative 49797138 C22H30N4O5S 462.6 CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCCCC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O.N IC50 = 148000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7JV5Q 3-Hydroxy-2-(hydroxymethyl)-4-[N-[(4-methoxyphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one Investigative 136254275 C29H45NO5 487.7 CCCCCCCCCCCCCCCC(=NCC1=CC=C(C=C1)OC)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7MT5Q 3-[(3,4-Dimethylphenyl)methylsulfanyl]thiophene-2-carboxylic acid Investigative 54757717 C14H14O2S2 278.4 CC1=C(C=C(C=C1)CSC2=C(SC=C2)C(=O)O)C IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7QX1F 2-[4-(Methylthio)-2-pyridinylmethylsulfinyl]-5-isopropoxy-1H-benzimidazole Investigative 9863756 C17H19N3O2S2 361.5 CC(C)OC1=CC2=C(C=C1)N=C(N2)S(=O)CC3=NC=CC(=C3)SC IC50 = 55200 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7TK4I 5-(2-(3-Chloropropoxy)-4-methoxyphenyl)-3-phenylisoxazole Investigative 54585350 C19H18ClNO3 343.8 COC1=CC(=C(C=C1)C2=CC(=NO2)C3=CC=CC=C3)OCCCCl IC50 = 56780 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7UHW4 3-[1-(2-Methylbenzylamino)hexadecane-1-ylidene]-5-(hydroxymethyl)tetrahydrofuran-2,4-dione Investigative 135797386 C29H45NO4 471.7 CCCCCCCCCCCCCCCC(=NCC1=CC=CC=C1C)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7W6FS 6-[(2E)-3,7-Dimethylocta-2,6-dienyl]-4,8-dihydroxy-7-methoxyfuro[3,2-b]xanthen-5-one Investigative 137642206 C26H26O6 434.5 CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C4C(=C3O)C=CO4)O)OC)/C)C IC50 = 55100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7XCP2 2-(7-(Benzyloxy)-1-(methoxymethyl)-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid Investigative 44444622 C20H18F3NO5 409.4 COCN1C=C(C2=C1C(=CC=C2)OCC3=CC=CC=C3)C(C(=O)O)(C(F)(F)F)O IC50 = 176000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B7XOS2 2-[4-(2-Bromoacetyl)phenoxy]acetic Acid Investigative 4966 C10H9BrO4 273.08 C1=CC(=CC=C1C(=O)CBr)OCC(=O)O Ki = 193000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B80UNQ 5-Benzyl-2-hydroxybiphenyl-3-carboxylic acid Investigative 19779154 C20H16O3 304.3 C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C(=O)O)O)C3=CC=CC=C3 IC50 = 65000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B83DGR Azane;[(3S)-2-(benzylcarbamoyl)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Investigative 49797134 C19H25N5O5S 435.5 CNC(=O)[C@@H]1CC2=C(CN1C(=O)NCC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O.N IC50 = 164000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B83HXZ 2-[4-[2-(Acetylsulfamoyl)-2-(1,3-benzoxazol-2-yl)ethyl]anilino]-2-oxoacetic acid Investigative 73348832 C19H17N3O7S 431.4 CC(=O)NS(=O)(=O)C(CC1=CC=C(C=C1)NC(=O)C(=O)O)C2=NC3=CC=CC=C3O2 Ki = 63000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8BHM6 2-Naphthylglyoxylic acid Investigative 9834233 C12H8O3 200.19 C1=CC=C2C=C(C=CC2=C1)C(=O)C(=O)O IC50 = 190000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8CHW5 Chembl4210458 Investigative 102036608 C27H28O12 544.5 COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)O)(C(=O)O)O)O IC50 = 67100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8F2JY 3-[[3-Carboxy-5-(furan-2-yl)-2-hydroxyphenyl]methyl]-5-(furan-2-yl)-2-hydroxybenzoic acid Investigative 25101548 C23H16O8 420.4 C1=COC(=C1)C2=CC(=C(C(=C2)C(=O)O)O)CC3=C(C(=CC(=C3)C4=CC=CO4)C(=O)O)O IC50 = 67000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8G0EQ 2-[2-[(Z)-(2,4-Dioxo-1,3-thiazolidin-5-ylidene)methyl]-5-phenylmethoxyphenoxy]acetic acid Investigative 56679984 C19H15NO6S 385.4 C1=CC=C(C=C1)COC2=CC(=C(C=C2)/C=C\\3/C(=O)NC(=O)S3)OCC(=O)O IC50 = 136000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8JZ0B 2-{4-[(S)-2-[(S)-4-Benzyloxycarbonyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-butyrylamino]-2-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethyl]-phenoxy}-malonic acid Investigative 44320456 C45H48N4O12 836.9 CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)OC(C(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35 IC50 = 116000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8MSX2 Sodium;(2S)-2-[[[ethoxy(hydroxy)phosphoryl]-(2-hydroxyphenyl)methyl]amino]-3-hydroxypropanoate Investigative 57380433 C12H17NNaO7P 341.23 CCOP(=O)(C(C1=CC=CC=C1O)N[C@@H](CO)C(=O)[O-])O.[Na+] IC50 = 135000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8PU3Y 9-(Ethoxymethyl)-4-methyl-9-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-8H-pyrano[2,3-f]chromene-2,10-dione Investigative 46879577 C26H29N3O5 463.5 CCOCC1(COC2=C(C1=O)C3=C(C=C2)C(=CC(=O)O3)C)CN4CCN(CC4)C5=CC=CC=N5 IC50 = 76200 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8QJ6V 2-(5-Phenyl-2-(2H-tetrazol-5-yl)thiophen-3-yloxy)acetic acid Investigative 44439132 C13H10N4O3S 302.31 C1=CC=C(C=C1)C2=CC(=C(S2)C3=NNN=N3)OCC(=O)O Ki = 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8QW2O N-(4,5-Diphenyl-2-thiazolyl)-2-(4-nitrophenyl)ethenesulfonamide Investigative 44337574 C23H17N3O4S2 463.5 C1=CC=C(C=C1)C2=C(SC(=N2)NS(=O)(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 IC50 = 58000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8RW4Z 2-[4-[2-(1,3-Benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl]-2-hydroxyphenoxy]acetic acid Investigative 71602532 C23H19FN2O7S 486.5 C1=CC=C2C(=C1)N=C(O2)C(CC3=CC(=C(C=C3)OCC(=O)O)O)S(=O)(=O)NC4=CC=C(C=C4)F Ki = 66500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8T4DB 4-[2-(3-Aminophenyl)ethynyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]benzoic acid Investigative 54758003 C22H15Cl2NO2S 428.3 C1=CC(=CC(=C1)N)C#CC2=CC(=C(C=C2)C(=O)O)SCC3=CC(=C(C=C3)Cl)Cl IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8TK9P 4-[5-[5-(1H-Indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]aniline Investigative 118722143 C21H16N4OS 372.4 C1=CC=C2C(=C1)C(=CN2)CC3=NC(=NO3)C4=CC=C(S4)C5=CC=C(C=C5)N IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8TXS7 [Difluoro-(2-methylquinolin-7-yl)methyl]phosphonic acid Investigative 44449658 C11H10F2NO3P 273.17 CC1=NC2=C(C=C1)C=CC(=C2)C(F)(F)P(=O)(O)O IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8V7LI Methyl 3-(2,4-dimethoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate Investigative 76311979 C19H19NO5 341.4 COC1=CC(=C(C=C1)C2=NOC(C2C(=O)OC)C3=CC=CC=C3)OC Ki = 135000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8XL7U Subelliptenone G Investigative 9916414 C13H8O5 244.2 C1=CC2=C(C(=C1)O)OC3=C(C=CC(=C3C2=O)O)O IC50 = 148300 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8XPK4 3-(4-Benzyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine Investigative 10172292 C17H21N9 351.4 C1CN(CCN1CC2=CC=CC=C2)CC3=NC4=C(N=C(N=C4N=N3)N)N IC50 = 98000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B8Y5WS 3-Formyl-6-nitrochromone Investigative 1268078 C10H5NO5 219.15 C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=CO2)C=O IC50 = 91000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B93IHM 2-[(Carboxycarbonyl)(1-naphthyl)amino]benzoic acid Investigative 447411 C19H13NO5 335.3 C1=CC=C2C(=C1)C=CC=C2N(C3=CC=CC=C3C(=O)O)C(=O)C(=O)O Ki = 158489.32 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B95SUQ Methyl 2-[(4E)-3-benzyl-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate Investigative 122193482 C20H18N2O5 366.4 COC(=O)CN1C(=O)/C(=C\\C2=CC=C(C=C2)O)/N(C1=O)CC3=CC=CC=C3 IC50 = 136000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B95UHR Narirutin Investigative 442431 C27H32O14 580.5 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O IC50 = 56500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B96PFA 3-{2-[(3Z)-5-{[(3-Chloro-4-fluorophenyl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid Investigative 135924018 C22H16ClFN4O5S 502.9 C1=CC(=CC(=C1)N=NC2=C(NC3=C2C=C(C=C3)S(=O)(=O)NCC4=CC(=C(C=C4)F)Cl)O)C(=O)O IC50 = 54900 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B96SHM N-[4-(2-Naphthyl)-5-propyl-2-thiazolyl]-2-(2-naphthyl)ethenesulfonamide Investigative 44337440 C28H24N2O2S2 484.6 CCCC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC3=CC=CC=C3C=C2)C4=CC5=CC=CC=C5C=C4 IC50 = 98000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B97CPZ (E)-2-(2-Chlorophenyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide Investigative 44337607 C26H23ClN2O2S2 495.1 CCCC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC=CC=C2Cl)C3=CC=C(C=C3)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B98RTA 3-Ethynyl-6-hydroxy-2-phenyl-benzofuran-5-carboxylic acid Investigative 71597177 C17H10O4 278.26 C#CC1=C(OC2=CC(=C(C=C21)C(=O)O)O)C3=CC=CC=C3 IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9BYT7 (2S)-7-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one Investigative 56669529 C16H14O5 286.28 COC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(O2)C=C(C=C3)O)O IC50 = 98100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9EKY8 Ethyl (E)-2-[4-[4-[4-[(E)-2-ethoxysulfonylethenyl]phenoxy]butoxy]phenyl]ethenesulfonate Investigative 137634422 C24H30O8S2 510.6 CCOS(=O)(=O)/C=C/C1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)/C=C/S(=O)(=O)OCC IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9GD1N (2S)-2-(3,8-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one Investigative 44589232 C20H20O6 356.4 CC1(C(CC2=C(O1)C(=CC(=C2)[C@@H]3CC(=O)C4=C(O3)C=C(C=C4)O)O)O)C IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9GDN4 2-Amino-4,5-bis(4-methoxyphenyl)-6-methylsulfanylbenzene-1,3-dicarbonitrile Investigative 44591657 C23H19N3O2S 401.5 COC1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=C(C=C3)OC)SC)C#N)N)C#N IC50 = 72000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9GJ0L 5-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]-1-benzofuran-2-carboxylic acid Investigative 44450221 C25H19N3O5S2 505.6 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC5=C(C=C4)OC(=C5)C(=O)O IC50 = 63600 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9GT2I 3-(2,4-Dimethoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole Investigative 76319197 C17H17NO3 283.32 COC1=CC(=C(C=C1)C2=NOC(C2)C3=CC=CC=C3)OC IC50 = 69000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9H0DY N-(4-Fluoro-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine Investigative 7158830 C16H11FN4O2S 342.3 COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC4=C(C=CC=C4S3)F IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9H1WU Chembl4218731 Investigative 145969860 C19H18O7 358.3 CC1(C(OC2=C1C3=C(C(=C2)O)C(=O)C4=C(O3)C(=C(C=C4)O)OC)CO)C IC50 = 52500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9I0DV (4-(4-Bromo-3,5-bis(trifluoromethyl)phenylcarbamoyl)phenyl)difluoromethylphosphonic acid Investigative 46186815 C16H9BrF8NO4P 542.11 C1=CC(=CC=C1C(=O)NC2=CC(=C(C(=C2)C(F)(F)F)Br)C(F)(F)F)C(F)(F)P(=O)(O)O Ki ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9IR4K [(4-Hydroxy-2-naphthyl)difluoromethyl]phosphonic acid Investigative 10468556 C11H9F2O4P 274.16 C1=CC=C2C(=C1)C=C(C=C2O)C(F)(F)P(=O)(O)O Ki = 93000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9J7KO 4-[3-[5-(1H-Indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]aniline Investigative 118722144 C23H18N4O 366.4 C1=CC=C2C(=C1)C(=CN2)CC3=NC(=NO3)C4=CC=CC(=C4)C5=CC=C(C=C5)N IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9MS1Z 3-[2-(3-Fluorophenyl)ethyl]-6-hydroxy-2-phenyl-benzofuran-5-carboxylic acid Investigative 71561818 C23H17FO4 376.4 C1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3O2)O)C(=O)O)CCC4=CC(=CC=C4)F IC50 = 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9MVG1 3,3,3-Trifluoro-2-hydroxy-2-(5-(2-(3-hydroxy-2-(methoxycarbonyl)phenoxy)ethoxy)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indol-3-yl)propanoic acid Investigative 44444623 C27H32F3NO9Si 599.6 COC(=O)C1=C(C=CC=C1OCCOC2=CC3=C(C=C2)N(C=C3C(C(=O)O)(C(F)(F)F)O)COCC[Si](C)(C)C)O IC50 = 123000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9NUQ0 (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propanoic acid Investigative 56670423 C17H28N4O10 448.4 CC(C)(C)OC(=O)N[C@@H](COCC1=CN(N=N1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9OP5H Erythribyssin I Investigative 56673038 C20H20O5 340.4 CC1(C(CC2=C(O1)C=CC(=C2)[C@@H]3CC(=O)C4=C(O3)C=C(C=C4)O)O)C IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9PNV5 (2S)-3-[[1-[[(2R,3R,4S,5R,6S)-6-Methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]triazol-4-yl]methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Investigative 56660070 C39H48N4O10 732.8 CC(C)(C)OC(=O)N[C@@H](COCC1=CN(N=N1)C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)O IC50 = 67800 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9THJ1 Ethyl (E)-2-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]ethenesulfonate Investigative 70691145 C20H19NO5S 385.4 CCOS(=O)(=O)/C=C/C1=CC=C(C=C1)OCC2=NOC(=C2)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9WSU3 [(3-Bromonaphthalen-2-yl)-difluoromethyl]phosphonic acid Investigative 44449592 C11H8BrF2O3P 337.05 C1=CC=C2C=C(C(=CC2=C1)C(F)(F)P(=O)(O)O)Br Ki = 179000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B B9WVP4 3-{2-[(3Z)-5-({[4-Chloro-3-(trifluoromethyl)phenyl]methyl}sulfamoyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid Investigative 135924020 C23H16ClF3N4O5S 552.9 C1=CC(=CC(=C1)N=NC2=C(NC3=C2C=C(C=C3)S(=O)(=O)NCC4=CC(=C(C=C4)Cl)C(F)(F)F)O)C(=O)O IC50 = 63100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BA17YK 2-[3-Oxo-3-phenyl-1-((4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethyl)-propyl]-malonic acid Investigative 44303453 C27H36O5 440.6 CC1=C([C@]2(CCCC([C@@H]2CC1)(C)C)C)CC(CC(=O)C3=CC=CC=C3)C(C(=O)O)C(=O)O IC50 = 68000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BA4S2T Sulfuric acid mono-(1-naphthalen-1-ylmethyl-3-phenyl-propyl) ester Investigative 44303518 C20H20O4S 356.4 C1=CC=C(C=C1)CCC(CC2=CC=CC3=CC=CC=C32)OS(=O)(=O)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BA6U2Q Sodium; 3-hydroxy-4-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylazo)-naphthalene-1-sulfonate Investigative 65235 C20H16N4O5S 424.4 CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O IC50 = 150000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BA7TK2 3-[(4-Chlorobenzyl)sulfanyl]-2-thiophenecarboxylic acid Investigative 2765069 C12H9ClO2S2 284.8 C1=CC(=CC=C1CSC2=C(SC=C2)C(=O)O)Cl IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BA84YR CID 58746753 Investigative 58746753 C30H29F3N4O6S 630.6 C1C(S(=O)(=O)NC1=O)C2=CC=C(C=C2)C[C@@H](C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C(F)(F)F IC50 = 169824.37 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BACN73 4-[N-[(2-Chlorophenyl)methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one Investigative 136254277 C28H42ClNO4 492.1 CCCCCCCCCCCCCCCC(=NCC1=CC=CC=C1Cl)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BAFY26 4-[N-[(4-Chlorophenyl)methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one Investigative 136254273 C28H42ClNO4 492.1 CCCCCCCCCCCCCCCC(=NCC1=CC=C(C=C1)Cl)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BAKB17 3-Diethylaminomethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine Investigative 10198815 C10H16N8 248.29 CCN(CC)CC1=NC2=C(N=C(N=C2N=N1)N)N IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BAOQ07 2-[(4E)-3-Benzyl-2,5-dioxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazolidin-1-yl]acetic acid Investigative 122193543 C26H22N2O5 442.5 C1=CC=C(C=C1)CN2/C(=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)/C(=O)N(C2=O)CC(=O)O IC50 = 113000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BAWI57 2-Hydroxy-5-[[(2-thioxo-2,3-dihydro-1H-benzimidazole-1-yl)methyl]amino]benzoic acid Investigative 15520072 C15H13N3O3S 315.3 C1=CC=C2C(=C1)NC(=S)N2CNC3=CC(=C(C=C3)O)C(=O)O Ki = 61000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BAY2C9 Tetrahydroisoquinoline (TIQ) deriv. 10c Investigative 11327911 C21H25N3O5S 431.5 CC1=CC=C(C=C1)CCC(=O)N2CC3=C(C[C@H]2C(=O)NC)C=CC(=C3)NS(=O)(=O)O IC50 = 198000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BB17YK 3-(Phenylethynyl)-alpha,alpha-difluorobenzylphosphonic acid Investigative 44366440 C15H11F2O3P 308.22 C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C(F)(F)P(=O)(O)O IC50 = 135900 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BB35EK Sodium;difluoro-(3-phenylphenyl)methanesulfonate Investigative 23673589 C13H9F2NaO3S 306.26 C1=CC=C(C=C1)C2=CC(=CC=C2)C(F)(F)S(=O)(=O)[O-].[Na+] IC50 = 115000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BB54WL 2-[4-[2-(1,3-Benzoxazol-2-yl)-2-(butylsulfamoyl)ethyl]anilino]-2-oxoacetic acid Investigative 71602534 C21H23N3O6S 445.5 CCCCNS(=O)(=O)C(CC1=CC=C(C=C1)NC(=O)C(=O)O)C2=NC3=CC=CC=C3O2 Ki = 82400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BB6J7V 1-(2,5-Dimethoxyphenyl)-3-(naphthalen-2-yl)prop-2-en-1-one Investigative 7947894 C21H18O3 318.4 COC1=CC(=C(C=C1)OC)C(=O)/C=C/C2=CC3=CC=CC=C3C=C2 IC50 = 144540 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BBD6E4 3-(2,3-Dichlorobenzylthio)thiophene-2-carboxylic acid Investigative 54757716 C12H8Cl2O2S2 319.2 C1=CC(=C(C(=C1)Cl)Cl)CSC2=C(SC=C2)C(=O)O IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BBF4O8 3-(2,4-Dimethoxyphenyl)-5-imidazol-1-yl-4,5-dihydro-1,2-oxazole Investigative 76319196 C14H15N3O3 273.29 COC1=CC(=C(C=C1)C2=NOC(C2)N3C=CN=C3)OC Ki = 63000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BBU4W0 6-(((S)-1-(2-Carboxy-1-phenylethylamino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-1-cyanoindolizine-3-carboxylic acid Investigative 44405933 C26H26N4O6 490.5 CC(C)C[C@@H](C(=O)NC(CC(=O)O)C1=CC=CC=C1)NC(=O)C2=CN3C(=C(C=C3C(=O)O)C#N)C=C2 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BBW19O Glabrone Investigative 5317652 C20H16O5 336.3 CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=C(C3=O)C=CC(=C4)O)C IC50 = 66300 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BC13LH 6-Fluoro-3-formylchromone Investigative 688893 C10H5FO3 192.14 C1=CC2=C(C=C1F)C(=O)C(=CO2)C=O IC50 = 55000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BC2L0Z 2-(4-Methyl-5-phenyl-2-(2H-tetrazol-5-yl)thiophen-3-yloxy)acetic acid Investigative 44439131 C14H12N4O3S 316.34 CC1=C(SC(=C1OCC(=O)O)C2=NNN=N2)C3=CC=CC=C3 Ki = 170000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BC2V3Q Oxalylarylaminobenzoic Acid Analog 8d Investigative 11001493 C17H15NO5 313.3 CCC1=CC=CC=C1N(C2=CC=CC=C2C(=O)O)C(=O)C(=O)O Ki = 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BC5T0I (E)-2-(4-Cyano-phenyl)-ethenesulfonic acid (4,5-diphenyl-thiazol-2-yl)-amide Investigative 44337581 C24H17N3O2S2 443.5 C1=CC=C(C=C1)C2=C(SC(=N2)NS(=O)(=O)/C=C/C3=CC=C(C=C3)C#N)C4=CC=CC=C4 IC50 = 58000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BC76KX 9-Ethoxymethyl-4-methyl-9-(4-phenyl-piperazin-1-yl-methyl)-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione Investigative 46879576 C27H30N2O5 462.5 CCOCC1(COC2=C(C1=O)C3=C(C=C2)C(=CC(=O)O3)C)CN4CCN(CC4)C5=CC=CC=C5 IC50 = 70600 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BC7GI1 4-[(E)-2-(4,5-Diphenyl-thiazol-2-ylsulfamoyl)-vinyl]-benzoic acid methyl ester Investigative 44337604 C25H20N2O4S2 476.6 COC(=O)C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4 IC50 = 59000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BCK05V 3-(2,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole Investigative 76330041 C18H19NO4 313.3 COC1=CC=C(C=C1)C2CC(=NO2)C3=C(C=C(C=C3)OC)OC IC50 = 67000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BCN68R 5-[3-[(E)-4-Hydroxy-3-(3-hydroxy-2-methoxycarbonylphenoxy)but-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid Investigative 11189464 C22H19NO8 425.4 COC(=O)C1=C(C=CC=C1OC(CO)/C=C/C2=CC(=CC=C2)C3=CC(=NO3)C(=O)O)O Ki = 50118.72 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BCZ8J1 2-(Carboxyformamido)thiophene-3-carboxylic acid Investigative 44359237 C7H5NO5S 215.19 C1=CSC(=C1C(=O)O)NC(=O)C(=O)O Ki = 107151.93 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BD26PI PTP1B Inhibitor, 6 Investigative 71463480 C22H23NO4 365.4 CC1(C=CC2=C(O1)C=CC(=C2OC)C3=NOC(C3)C4=CC=C(C=C4)OC)C Ki = 56000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BD4J1Z Ethyl (E)-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-2-yl]prop-1-ene-1-sulfonate Investigative 70697356 C25H25NO6S 467.5 CCOS(=O)(=O)/C=C/CC1=CC2=C(O1)C=C(C=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C IC50 = 84600 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BD4UX9 4-[N-[(3-Fluorophenyl)methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one Investigative 136254281 C28H42FNO4 475.6 CCCCCCCCCCCCCCCC(=NCC1=CC(=CC=C1)F)C2=C(C(OC2=O)CO)O IC50 = 83700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BD9YH1 Chembl4206173 Investigative 145975895 C24H19NO4 385.4 CC1=CC(=CC(=C1O)C)C2=CC(=CC=C2)C3=C(ON=C3C(=O)O)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BDA15T 5-[(2,3-Dioxoindol-1-yl)methyl]furan-2-carbaldehyde Investigative 71452583 C14H9NO4 255.22 C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=C(O3)C=O IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BDC19Y PTP1B Inhibitor, 19 Investigative 71463488 C19H17NO5 339.3 CC(=O)OC1=CC(=C(C=C1)C2=NOC(C2)C3=CC=CC=C3)OC(=O)C IC50 = 62700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BDN74I N-(4-Phenyl-5-ethyl-2-thiazolyl)-2-(4-nitrophenyl)ethenesulfonamide Investigative 44337596 C19H17N3O4S2 415.5 CCC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 IC50 = 83000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BDR68Y Ethyl (E)-2-[2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-4-phenylmethoxyphenyl]ethenesulfonate Investigative 70686949 C29H29NO6S 519.6 CCOS(=O)(=O)/C=C/C1=C(C=C(C=C1)OCC2=CC=CC=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BE0I1X Moracin O Investigative 14539883 C19H18O5 326.3 CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O IC50 ~ 80000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BE0PC8 Echinatin Investigative 6442675 C16H14O4 270.28 COC1=C(C=CC(=C1)O)/C=C/C(=O)C2=CC=C(C=C2)O IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BE8M1Q 3-(4-Methoxybenzofuran-5-yl)-5-phenyl-4,5-dihydroisoxazole Investigative 11266347 C18H15NO3 293.3 COC1=C(C=CC2=C1C=CO2)C3=NOC(C3)C4=CC=CC=C4 IC50 = 76000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BE8S7U (2S,3S)-2-[[(3S,6R,9S,12S,15S)-3-Benzyl-6-[2-[2-(carbamoylamino)phenyl]-2-oxoethyl]-7-methyl-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid Investigative 44415112 C45H65N9O10 892.1 CC[C@H](C)[C@@H](C(=O)O)NC(=O)N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC(C)C)C)CC(=O)C2=CC=CC=C2NC(=O)N)CC3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BE9X4D Sigmoidin D Investigative 129362 C20H20O7 372.4 CC1([C@H](CC2=C(O1)C(=CC(=C2)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)O)O)C IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BEF67A 3-(6-Bromopyridin-2-yl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole Investigative 127027724 C16H11BrN4O 355.19 C1=CC=C2C(=C1)C(=CN2)CC3=NC(=NO3)C4=NC(=CC=C4)Br IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BEI0W4 Chromone-3-carboxaldehyde Investigative 87112 C10H6O3 174.15 C1=CC=C2C(=C1)C(=O)C(=CO2)C=O IC50 = 73000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BEKB42 4-({4-[(E)-(1-Ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-iodophenoxy}methyl)benzoic acid Investigative 6504357 C20H17IN2O5 492.3 CCN1C(=O)/C(=C\\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)I)/NC1=O IC50 = 63800 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BEM64F Benzarone Investigative 255968 C17H14O3 266.29 CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O IC50 ~ 150000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BEVX34 9-(Hydroxymethyl)-4-methyl-9-(pyrrolidin-1-ylmethyl)-8H-pyrano[2,3-f]chromene-2,10-dione Investigative 46882183 C19H21NO5 343.4 CC1=CC(=O)OC2=C1C=CC3=C2C(=O)C(CO3)(CN4CCCC4)CO IC50 = 56700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BF0ZP8 3-Hydroxy-2-(hydroxymethyl)-4-[N-[(4-hydroxyphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one Investigative 135797397 C28H43NO5 473.6 CCCCCCCCCCCCCCCC(=NCC1=CC=C(C=C1)O)C2=C(C(OC2=O)CO)O IC50 = 68100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BF2OY9 N-[4-(4-Chlorophenyl)-5-methyl-2-thiazolyl]-2-(3,4-difluorophenyl)ethenesulfonamide Investigative 44337423 C18H13ClF2N2O2S2 426.9 CC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)Cl IC50 = 51000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BF37VR 3-Hydroxy-2-(hydroxymethyl)-4-[N-[(3-methoxyphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one Investigative 135797389 C29H45NO5 487.7 CCCCCCCCCCCCCCCC(=NCC1=CC(=CC=C1)OC)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BF7ZA0 Methyl 4-[4-[5-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]phenoxy]butanoate Investigative 127025578 C26H23N3O4S 473.5 COC(=O)CCCOC1=CC=C(C=C1)C2=CC=C(S2)C3=NOC(=N3)CC4=CNC5=CC=CC=C54 IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BFC8A3 4-[N-[[4-(Dimethylamino)phenyl]methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one Investigative 136254276 C30H48N2O4 500.7 CCCCCCCCCCCCCCCC(=NCC1=CC=C(C=C1)N(C)C)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BFL43Q 3-(Carboxyformamido)isonicotinic acid Investigative 10998288 C8H6N2O5 210.14 C1=CN=CC(=C1C(=O)O)NC(=O)C(=O)O Ki = 158489.32 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BFL8C1 3,4-Dichloro-N-[4-(4-chloro-benzenesulfonyl)-5-methylsulfanyl-2H-pyrazol-3-yl]-benzamide Investigative 2819267 C17H12Cl3N3O3S2 476.8 CSC1=NNC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)Cl)Cl IC50 = 63900 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BFM4Y6 2-[2,3-Dimethyl-N-(2-oxopropanoyl)anilino]benzoic acid Investigative 76308036 C18H17NO4 311.3 CC1=C(C(=CC=C1)N(C2=CC=CC=C2C(=O)O)C(=O)C(=O)C)C Ki = 93000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BFN0G1 2-[2-[(E)-3-Hydroxyprop-1-enyl]-N-oxaloanilino]benzoic acid Investigative 45268796 C18H15NO6 341.3 C1=CC=C(C(=C1)/C=C/CO)N(C2=CC=CC=C2C(=O)O)C(=O)C(=O)O Ki = 50118.72 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BFTO82 (2S,3S)-2-[[(3S,6S,9S,12S,15S)-3-Benzyl-6-(1H-indol-3-ylmethyl)-7-methyl-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid Investigative 11844604 C45H64N8O8 845 CC[C@H](C)[C@@H](C(=O)O)NC(=O)N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC(C)C)C)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BFV82U Euxanthone Investigative 5281631 C13H8O4 228.2 C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O IC50 = 149900 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BG0R4I 4-[(E)-2-(5-Bromo-3-carboxy-4-hydroxyphenyl)vinyl]-2-hydroxybenzoic acid Investigative 44563592 C16H11BrO6 379.16 C1=CC(=C(C=C1/C=C/C2=CC(=C(C(=C2)Br)O)C(=O)O)O)C(=O)O IC50 = 64000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BG1B5O 2-[(3,4-Dichlorophenyl)methylsulfanyl]-N-methylsulfonylbenzamide Investigative 54757905 C15H13Cl2NO3S2 390.3 CS(=O)(=O)NC(=O)C1=CC=CC=C1SCC2=CC(=C(C=C2)Cl)Cl IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BG1IS9 (S)-4-[(S)-1-((S)-1-Carbamoyl-3-methyl-butylcarbamoyl)-2-(4-carboxymethoxy-phenyl)-ethylcarbamoyl]-4-phenethyloxycarbonylamino-butyric acid benzyl ester Investigative 10327524 C38H46N4O10 718.8 CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)OCC(=O)O)NC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)OCCC3=CC=CC=C3 IC50 = 58200 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BG1M7E 3-((S)-2-(1-Cyano-3-(ethoxycarbonyl)indolizin-5-yloxy)-4-methylpentanamido)-3-phenylpropanoic acid Investigative 44405959 C27H29N3O6 491.5 CCOC(=O)C1=CC(=C2N1C(=CC=C2)O[C@@H](CC(C)C)C(=O)NC(CC(=O)O)C3=CC=CC=C3)C#N IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BG25EQ 4-Bromo-2-[(3,4-dichlorophenyl)methylsulfanyl]benzoic acid Investigative 54757906 C14H9BrCl2O2S 392.1 C1=CC(=C(C=C1CSC2=C(C=CC(=C2)Br)C(=O)O)Cl)Cl IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BG30SO (E)-2-(3,4-Difluorophenyl)-N-(4,5-diphenyl-1,3-thiazol-2-yl)ethenesulfonamide Investigative 44337392 C23H16F2N2O2S2 454.5 C1=CC=C(C=C1)C2=C(SC(=N2)NS(=O)(=O)/C=C/C3=CC(=C(C=C3)F)F)C4=CC=CC=C4 IC50 = 85000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BG65MT 2,5-Dihydroxybenzoic acid Investigative 3469 C7H6O4 154.12 C1=CC(=C(C=C1O)C(=O)O)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BG9Y0N 1-(2-Hydroxyphenyl)-3-(naphthalen-1-yl)prop-2-en-1-one Investigative 7729033 C19H14O2 274.3 C1=CC=C2C(=C1)C=CC=C2/C=C/C(=O)C3=CC=CC=C3O IC50 = 158490 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BGEL02 4-[5-(4-Carboxymethoxybenzylidene)-2,4-dioxothiazolidin-3-yl]methylbenzoic acid Investigative 18864298 C20H15NO7S 413.4 C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)O)/SC2=O)C(=O)O IC50 = 85000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BGFE50 7-Phenyl-furo[3,2-g]chromen-5-one Investigative 44422146 C17H10O3 262.26 C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C4C(=C3)C=CO4 Ki = 57000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BGM62E Glyinflanin H Investigative 15233562 C19H16O4 308.3 CC1(C=CC2=C(O1)C=CC(=C2O)C3=CC4=C(O3)C=C(C=C4)O)C IC50 = 64900 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BGQ5Z0 4-[6-[5-(1H-Indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl]phenol Investigative 137174949 C22H16N4O2 368.4 C1=CC=C2C(=C1)C(=CN2)CC3=NC(=NO3)C4=CC=CC(=N4)C5=CC=C(C=C5)O IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BGTH52 Benzoic acid, 3,3'-methylenebis[5-bromo-2-hydroxy- Investigative 268455 C15H10Br2O6 446.04 C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Br)C(=O)O)O)O)C(=O)O)Br IC50 = 149000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BGVD32 Tetrahydroisoquinoline (TIQ) deriv. 10e Investigative 23646403 C21H22F3N3O5S 485.5 CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC3=CC(=CC=C3)C(F)(F)F)C=C(C=C2)NS(=O)(=O)O IC50 = 146000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BH17PW 3-(4-Phenyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine Investigative 44329839 C16H19N9 337.38 C1CN(CCN1CC2=NC3=C(N=C(N=C3N=N2)N)N)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BH1L7C Oxalylarylaminobenzoic Acid Analog 8c Investigative 11046051 C19H17NO5 339.3 C1CCC2=C(C1)C=CC=C2N(C3=CC=CC=C3C(=O)O)C(=O)C(=O)O Ki = 74000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BH7F5P 2-[(4E)-3-Benzyl-4-[[4-(carboxymethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid Investigative 122193542 C21H18N2O7 410.4 C1=CC=C(C=C1)CN2/C(=C/C3=CC=C(C=C3)OCC(=O)O)/C(=O)N(C2=O)CC(=O)O IC50 = 122000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BH9D2P (E)-2-(2-Chlorophenyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethenesulfonamide Investigative 44337409 C18H14Cl2N2O2S2 425.4 CC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC=CC=C2Cl)C3=CC=C(C=C3)Cl IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BHP9D7 (E)-4-(2,4-Dinitrostyryl)benzene-1,2-diol Investigative 44432624 C14H10N2O6 302.24 C1=CC(=C(C=C1/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O)O IC50 = 190000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BHU1V7 9-(Hydroxymethyl)-4-methyl-9-(morpholin-4-ylmethyl)-8H-pyrano[2,3-f]chromene-2,10-dione Investigative 46882139 C19H21NO6 359.4 CC1=CC(=O)OC2=C1C=CC3=C2C(=O)C(CO3)(CN4CCOCC4)CO IC50 = 52400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BI58WQ 4-(Carboxyformamido)thiophene-3-carboxylic acid Investigative 11745998 C7H5NO5S 215.19 C1=C(C(=CS1)NC(=O)C(=O)O)C(=O)O Ki = 75000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BI93BZ 3-(Naphthalen-2-ylmethylsulfanyl)thiophene-2-carboxylic acid Investigative 54757809 C16H12O2S2 300.4 C1=CC=C2C=C(C=CC2=C1)CSC3=C(SC=C3)C(=O)O IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BIC16G 4-[N-[(2-Fluorophenyl)methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one Investigative 136254278 C28H42FNO4 475.6 CCCCCCCCCCCCCCCC(=NCC1=CC=CC=C1F)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BIC1F2 [1-[(1S,4As,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylbutan-2-yl] hydrogen sulfate Investigative 44303580 C19H34O4S 358.5 CC1=CC[C@@H]2[C@@]([C@H]1CC(C(C)C)OS(=O)(=O)O)(CCCC2(C)C)C IC50 = 110000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BID8O3 6-[(2S)-5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-8-hydroxy-2,2-dimethyl-3H-chromen-4-one Investigative 44589231 C20H18O7 370.4 CC1(CC(=O)C2=C(O1)C(=CC(=C2)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BIGW90 (5-Benzyloxy-3-hydroxy-biphenyl-4-yloxy)-acetic acid Investigative 44434674 C21H18O5 350.4 C1=CC=C(C=C1)COC2=CC(=CC(=C2OCC(=O)O)O)C3=CC=CC=C3 IC50 = 93000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BIH12T (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-Hydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol Investigative 71719758 C30H52O3 460.7 CC(=C)CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BIMR52 2-(2-Allyl-4,5-dibromothiophen-3-yloxy)acetic acid Investigative 44439124 C9H8Br2O3S 356.03 C=CCC1=C(C(=C(S1)Br)Br)OCC(=O)O IC50 = 165000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BJ13ED N-(4,5-Diphenyl-2-thiazolyl)-2-(3,4-dimethoxyphenyl)ethenesulfonamide Investigative 44337726 C25H22N2O4S2 478.6 COC1=C(C=C(C=C1)/C=C/S(=O)(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)OC IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BJ3EU4 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenyl]sulfanylacetic acid Investigative 44450252 C24H21N3O4S3 511.6 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC=C(C=C4)SCC(=O)O IC50 = 115000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BJ4L2D 6-Benzyl-2-(carboxyformamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid Investigative 9863691 C17H16N2O5S 360.4 C1CN(CC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CC3=CC=CC=C3 Ki = 63095.73 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BJ5P8S Glycyrrhisoflavone Investigative 5317764 C20H18O6 354.4 CC(=CCC1=C(C(=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O)C IC50 = 58700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BJ73YB 6-Hydroxy-3-[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethynyl]-2-phenyl-1-benzofuran-5-carboxylic acid Investigative 71717989 C36H36O6 564.7 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C#CC5=C(OC6=CC(=C(C=C65)C(=O)O)O)C7=CC=CC=C7)O)C IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BJ7QR5 (Z)-5-[4-(4-Fluorobenzyloxy)benzylidene]thiazolidine-2,4-dione Investigative 5605148 C17H12FNO3S 329.3 C1=CC(=CC=C1COC2=CC=C(C=C2)/C=C\\3/C(=O)NC(=O)S3)F IC50 = 68000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BJAG79 3-[2-(2-Nitrophenyl)hydrazinyl]-2-oxoindole-5-sulfonic acid Investigative 3246406 C14H10N4O6S 362.32 C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=C(C=C3)S(=O)(=O)O)O)[N+](=O)[O-] IC50 = 96700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BJPW06 5-[(5-Methyl-2,3-dioxoindol-1-yl)methyl]furan-2-carbaldehyde Investigative 71456090 C15H11NO4 269.25 CC1=CC2=C(C=C1)N(C(=O)C2=O)CC3=CC=C(O3)C=O IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BJQ3V6 1-[2-(7-Acetyl-6-hydroxy-1-benzofuran-3-yl)-6-hydroxy-1-benzofuran-7-yl]ethanone Investigative 44422179 C20H14O6 350.3 CC(=O)C1=C(C=CC2=C1OC(=C2)C3=COC4=C3C=CC(=C4C(=O)C)O)O Ki = 54000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BJY3R0 3-Piperazin-1-ylmethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine Investigative 12109536 C10H15N9 261.29 C1CN(CCN1)CC2=NC3=C(N=C(N=C3N=N2)N)N IC50 = 91000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BK16DQ Glycycoumarin Investigative 5317756 C21H20O6 368.4 CC(=CCC1=C(C2=C(C=C1O)OC(=O)C(=C2)C3=C(C=C(C=C3)O)O)OC)C IC50 = 183900 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BK1DP0 9-(Hydroxymethyl)-4-methyl-9-(piperidin-1-ylmethyl)-8H-pyrano[2,3-f]chromene-2,10-dione Investigative 46882140 C20H23NO5 357.4 CC1=CC(=O)OC2=C1C=CC3=C2C(=O)C(CO3)(CN4CCCCC4)CO IC50 = 62100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BK37HB 5-[(5-Chloro-2,3-dioxoindol-1-yl)methyl]furan-2-carbaldehyde Investigative 71457901 C14H8ClNO4 289.67 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2CC3=CC=C(O3)C=O IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BK5UV3 Methyl 4-[4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenoxy]butanoate Investigative 127028347 C28H25N3O4 467.5 COC(=O)CCCOC1=CC=C(C=C1)C2=CC(=CC=C2)C3=NOC(=N3)CC4=CNC5=CC=CC=C54 IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BK67XD Macroantoin F Investigative 10392218 C26H26O12 530.5 COC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O IC50 = 56000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BK6JX3 Ethyl (E)-2-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]ethenesulfonate Investigative 70693259 C21H22N2O4S2 430.5 CCOS(=O)(=O)/C=C/C1=CC=C(C=C1)OCCNC2=NC(=CS2)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BK71IF 2-[4-[2-Amino-3-oxo-3-(pentylamino)propyl]-N-oxaloanilino]benzoic acid Investigative 44306768 C23H27N3O6 441.5 CCCCCNC(=O)C(CC1=CC=C(C=C1)N(C2=CC=CC=C2C(=O)O)C(=O)C(=O)O)N Ki ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BK7L3U 3-(4-Methoxybenzofuran-5-yl)-5-(4-methoxyphenyl)-4,5-dihydroisoxazole Investigative 44410095 C19H17NO4 323.3 COC1=CC=C(C=C1)C2CC(=NO2)C3=C(C4=C(C=C3)OC=C4)OC IC50 = 81000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BK7XE1 Naringin Investigative 442428 C27H32O14 580.5 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BK89PN 5-(3-(((1-Acetylpiperidin-4-yl)carbonyl)amino)phenyl)isoxazole-3-carboxylic Acid Investigative 9998434 C18H19N3O5 357.4 CC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CC(=NO3)C(=O)O Ki = 79432.82 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BK9D0Q 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenyl]-2-oxoacetic acid Investigative 44450343 C24H19N3O5S2 493.6 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC=C(C=C4)C(=O)C(=O)O IC50 = 60300 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BKA1U9 4-Bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid Investigative 9547975 C7H5BrO5S 281.08 C1=C(C(=C(S1)C(=O)O)OCC(=O)O)Br Ki = 160000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BKE48O 2-[4-[2-(1,3-Benzoxazol-2-yl)-2-[(4-methylphenyl)sulfamoyl]ethyl]anilino]-2-oxoacetic acid Investigative 71602708 C24H21N3O6S 479.5 CC1=CC=C(C=C1)NS(=O)(=O)C(CC2=CC=C(C=C2)NC(=O)C(=O)O)C3=NC4=CC=CC=C4O3 Ki = 62000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BKL73U Tetrahydroisoquinoline (TIQ) deriv. 10h Investigative 11316438 C20H23N3O6S 433.5 CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC3=CC(=CC=C3)O)C=C(C=C2)NS(=O)(=O)O IC50 = 82100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BKNE09 Difluoro(1-naphthyl)methylphosphonic acid Investigative 10332717 C11H9F2O3P 258.16 C1=CC=C2C(=C1)C=CC=C2C(F)(F)P(=O)(O)O IC50 = 112000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BKR01D N-[4-(4-Biphenylyl)-5-propyl-2-thiazolyl]-2-[4-(trifluoromethyl)phenyl]ethenesulfonamide Investigative 44337454 C27H23F3N2O2S2 528.6 CCCC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BKRQ36 6-Hydroxy-3-(3-hydroxyprop-1-ynyl)-2-phenyl-benzofuran-5-carboxylic acid Investigative 71561559 C18H12O5 308.3 C1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3O2)O)C(=O)O)C#CCO IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BKV5M7 Methyl 3-(4-methoxybenzofuran-5-yl)-5-phenyl-4,5-dihydroisoxazole-4-carboxylate Investigative 44410062 C20H17NO5 351.4 COC1=C(C=CC2=C1C=CO2)C3=NOC(C3C(=O)OC)C4=CC=CC=C4 Ki = 72500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BL1SR7 Chembl4214128 Investigative 145971302 C8H5N3S 175.21 C#CC1=CC2=NSN=C2C=C1N IC50 = 50230 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BL2B6F alpha,alpha-Difluoro-3-[bis(methylsulfonyl)amino]-4-(phenylethynyl)benzylphosphonic acid Investigative 15486041 C17H16F2NO7PS2 479.4 CS(=O)(=O)N(C1=C(C=CC(=C1)C(F)(F)P(=O)(O)O)C#CC2=CC=CC=C2)S(=O)(=O)C IC50 = 88700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BL4TW6 beta-Amyrin Investigative 73145 C30H50O 426.7 C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BL79YF 3-[(3,4-Dichlorobenzyl)sulfanyl]-2-thiophenecarboxylic acid Investigative 2765033 C12H8Cl2O2S2 319.2 C1=CC(=C(C=C1CSC2=C(SC=C2)C(=O)O)Cl)Cl IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BLHZ17 N-(4,5-Diphenyl-2-thiazolyl)-2-(4-methylphenyl)ethenesulfonamide Investigative 44337816 C24H20N2O2S2 432.6 CC1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BLO8D3 Butyl (E)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethenesulfonate Investigative 70686947 C23H25NO4S2 443.6 CCCCOS(=O)(=O)/C=C/C1=CC=C(C=C1)OCCC2=CSC(=N2)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BLQO37 Ethyl (E)-2-[2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]-4-phenylmethoxyphenyl]ethenesulfonate Investigative 70691144 C29H29NO5S2 535.7 CCOS(=O)(=O)/C=C/C1=C(C=C(C=C1)OCC2=CC=CC=C2)OCCC3=C(SC(=N3)C4=CC=CC=C4)C IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BLUP17 Isoliquiritigenin Investigative 638278 C15H12O4 256.25 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BLV3O9 2-Butyl-3-(4-hydroxybenzoyl)benzofuran Investigative 96670 C19H18O3 294.3 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O IC50 = 71400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BM10KZ Ethyl (E)-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)prop-1-ene-1-sulfonate Investigative 70689036 C15H17NO3S2 323.4 CCOS(=O)(=O)/C=C/CC1=C(SC(=N1)C2=CC=CC=C2)C IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BM2W7E 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]-2,6-difluorophenoxy]acetic acid Investigative 44450285 C24H19F2N3O5S2 531.6 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC(=C(C(=C4)F)OCC(=O)O)F IC50 = 137000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BM5L6G 3-Piperidin-1-ylmethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-diamine Investigative 12109538 C11H16N8 260.3 C1CCN(CC1)CC2=NC3=C(N=C(N=C3N=N2)N)N IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BMH2R4 2-[(S)-(2-Chloroanilino)-diethoxyphosphorylmethyl]phenol Investigative 57390693 C17H21ClNO4P 369.8 CCOP(=O)([C@@H](C1=CC=CC=C1O)NC2=CC=CC=C2Cl)OCC IC50 = 137000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BMH6Y5 2-(3-(2-(2-(4-Chlorophenyl)-4-methylthiazol-5-yl)ethoxy)-4-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid Investigative 44444636 C21H17ClF3NO5S 487.9 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)CCOC3=C(C=CC(=C3)C(C(=O)O)(C(F)(F)F)O)O IC50 = 105000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BMHF17 (E)-4-(3,4-Dihydroxystyryl)benzaldehyde Investigative 44432619 C15H12O3 240.25 C1=CC(=CC=C1/C=C/C2=CC(=C(C=C2)O)O)C=O IC50 = 101000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BN1D2E (2S)-N-[(1S)-1-Carbamoyl-2-[4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-5-yl)phenyl]ethyl]-3-phenyl-2-(phenylformamido)propanamide Investigative 23646521 C28H28N4O6S 548.6 C1C(S(=O)(=O)NC1=O)C2=CC=C(C=C2)C[C@@H](C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4 IC50 = 149968.48 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BN86GK Dess-Martin periodinane Investigative 159087 C13H13IO8 424.14 CC(=O)OI1(C2=CC=CC=C2C(=O)O1)(OC(=O)C)OC(=O)C IC50 = 130000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BNA5G2 (3Z)-3-[2-(2-Nitrophenyl)hydrazin-1-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide Investigative 135924010 C14H11N5O5S 361.33 C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=C(C=C3)S(=O)(=O)N)O)[N+](=O)[O-] IC50 = 156600 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BNAV56 2-[2-Oxopropanoyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]benzoic acid Investigative 76308038 C20H19NO4 337.4 CC(=O)C(=O)N(C1=CC=CC=C1C(=O)O)C2=CC=CC3=C2CCCC3 Ki = 74000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BNGY53 2-Bromo-4'-methoxyacetophenone Investigative 4965 C9H9BrO2 229.07 COC1=CC=C(C=C1)C(=O)CBr Ki = 128000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BNIF90 (E)-2-(3,4-Difluorophenyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide Investigative 44337719 C26H22F2N2O2S2 496.6 CCCC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)C4=CC=CC=C4 IC50 = 77000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BNU0K8 4-[[4-[(E)-[3-Benzyl-1-(carboxymethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid Investigative 122193541 C27H22N2O7 486.5 C1=CC=C(C=C1)CN2/C(=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)/C(=O)N(C2=O)CC(=O)O IC50 = 103000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BNWH26 (5E)-5-[(4-Phenacyloxyphenyl)methylidene]imidazolidine-2,4-dione Investigative 60151894 C18H14N2O4 322.3 C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)/C=C/3\\C(=O)NC(=O)N3 IC50 = 155000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BO0JM4 Licoagrochalcone C Investigative 5318990 C21H22O5 354.4 CC(=CCC1=C(C=CC(=C1OC)/C=C/C(=O)C2=CC(=C(C=C2)O)O)O)C IC50 = 59500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BO34WG 3-(3-Stibonophenyl)Propanoic Acid Investigative 24204784 C9H11O5Sb 320.94 C1=CC(=CC(=C1)[Sb](=O)(O)O)CCC(=O)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BO4E3M N-(4-Phenyl-5-ethyl-2-thiazolyl)-2-[4-(methylsulfonyl)phenyl]ethenesulfonamide Investigative 44337575 C20H20N2O4S3 448.6 CCC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BO7DW9 5-Benzyl-4-hydroxybiphenyl-3-carboxylic acid Investigative 19880831 C20H16O3 304.3 C1=CC=C(C=C1)CC2=C(C(=CC(=C2)C3=CC=CC=C3)C(=O)O)O IC50 = 57000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BO82HV Butyl (E)-2-[2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-4-phenylmethoxyphenyl]ethenesulfonate Investigative 70691143 C31H33NO6S 547.7 CCCCOS(=O)(=O)/C=C/C1=C(C=C(C=C1)OCC2=CC=CC=C2)OCCC3=C(OC(=N3)C4=CC=CC=C4)C IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BO95DM Methyl 5-[[3-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carbonyl]sulfamoyl]-2-methoxybenzoate Investigative 54757904 C21H17Cl2NO6S3 546.5 COC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=C(C=CS2)SCC3=CC(=C(C=C3)Cl)Cl)C(=O)OC IC50 = 73000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BO9ZU7 Difluoro(naphthalen-2-yl)methanesulfonate Investigative 10706701 C11H8F2O3S 258.24 C1=CC=C2C=C(C=CC2=C1)C(F)(F)S(=O)(=O)O IC50 = 175000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BOA52J 3-[(3,4-Dichlorobenzyl)sulfanyl]-N-(Methylsulfonyl)thiophene-2-Carboxamide Investigative 54751676 C13H11Cl2NO3S3 396.3 CS(=O)(=O)NC(=O)C1=C(C=CS1)SCC2=CC(=C(C=C2)Cl)Cl IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BOFG48 Vignafuran Investigative 441958 C16H14O4 270.28 COC1=CC2=C(C=C1)C=C(O2)C3=C(C=C(C=C3)O)OC IC50 = 74100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BOT7G6 3-(3,4-Dichlorobenzylamino)thiophene-2-carboxylic acid Investigative 54757812 C12H9Cl2NO2S 302.2 C1=CC(=C(C=C1CNC2=C(SC=C2)C(=O)O)Cl)Cl IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BOVW62 Methyl 2-[(4E)-3-benzyl-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate Investigative 122193485 C23H22N2O7 438.4 COC(=O)CN1C(=O)/C(=C\\C2=CC=C(C=C2)OCC(=O)OC)/N(C1=O)CC3=CC=CC=C3 IC50 = 114000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BP1C2D Gypensapogenin D Investigative 57403824 C30H46O3 454.7 CC(=C[C@H]1C=C(C(=O)O1)[C@H]2CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BP1JD4 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenyl]-2,2-difluoroacetic acid Investigative 44450352 C24H19F2N3O4S2 515.6 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC=C(C=C4)C(C(=O)O)(F)F IC50 = 51800 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BP2C7O 3-(2,4-Dimethoxyphenyl)-5-pyridin-4-yl-4,5-dihydro-1,2-oxazole Investigative 76322853 C16H16N2O3 284.31 COC1=CC(=C(C=C1)C2=NOC(C2)C3=CC=NC=C3)OC Ki = 150000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BP5Z8W (5Z)-5-[(4-Phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione Investigative 5939774 C17H13NO3S 311.4 C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C\\3/C(=O)NC(=O)S3 IC50 = 64000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BPB3Z9 5-(3-((2-(3-Hydroxy-2-(methoxycarbonyl)phenoxy)ethyl)amino)phenyl)isoxazole-3-carboxylic Acid Investigative 10250245 C20H18N2O7 398.4 COC(=O)C1=C(C=CC=C1OCCNC2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O Ki = 50118.72 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BPE19G N-(1-Benzyl-3-cyano-1H-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Investigative 1921859 C24H17N5O2S 439.5 C1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NS(=O)(=O)C5=CC=CC=C5 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BPHW67 (E)-2-(4-Butylphenyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide Investigative 44337400 C30H32N2O2S2 516.7 CCCCC1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=NC(=C(S2)CCC)C3=CC=C(C=C3)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BPKD80 Licochalcone C Investigative 9840805 C21H22O4 338.4 CC(=CCC1=C(C=CC(=C1OC)/C=C/C(=O)C2=CC=C(C=C2)O)O)C IC50 = 57000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BPN43O (E)-2-(2-Chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethenesulfonamide Investigative 44337410 C17H12Cl2N2O2S2 411.3 C1=CC=C(C(=C1)/C=C/S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl)Cl IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BPQH08 (2S)-7-Hydroxy-2-[3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one Investigative 11995581 C26H30O5 422.5 CC(=CCC1=C(C(=CC(=C1)[C@@H]2CC(=O)C3=C(O2)C=C(C=C3)O)/C=C/C(C)(C)O)OC)C IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BPX16G 5-[1-[2-(3-Hydroxy-2-methoxycarbonylphenoxy)ethyl]indol-6-yl]-1,2-oxazole-3-carboxylic acid Investigative 11362207 C22H18N2O7 422.4 COC(=O)C1=C(C=CC=C1OCCN2C=CC3=C2C=C(C=C3)C4=CC(=NO4)C(=O)O)O Ki = 50118.72 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQ01XA {4-[3-(4-Oxalyl-phenoxymethyl)-benzyloxy]-phenyl}-oxo-acetic acid Investigative 10094446 C24H18O8 434.4 C1=CC(=CC(=C1)COC2=CC=C(C=C2)C(=O)C(=O)O)COC3=CC=C(C=C3)C(=O)C(=O)O IC50 = 53000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQ15KX 3,5-Dibenzyl-2-hydroxybenzoic acid Investigative 25101400 C21H18O3 318.4 C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C(=O)O)O)CC3=CC=CC=C3 IC50 = 91000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQ1I6Y 4,5-Diphenylisoxazole-3-carboxylic acid Investigative 58537218 C16H11NO3 265.26 C1=CC=C(C=C1)C2=C(ON=C2C(=O)O)C3=CC=CC=C3 IC50 = 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQ40FD 2-(Furan-2-yl)-2-oxoacetic acid Investigative 73846 C6H4O4 140.09 C1=COC(=C1)C(=O)C(=O)O Ki = 79000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQ47EX 2-(3-Methoxy-N-oxaloanilino)benzoic acid Investigative 45271202 C16H13NO6 315.28 COC1=CC=CC(=C1)N(C2=CC=CC=C2C(=O)O)C(=O)C(=O)O Ki = 158489.32 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQ5I3W 1-[(1S,4As,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]pent-4-en-2-yl hydrogen sulfate Investigative 44303523 C19H32O4S 356.5 CC1=CC[C@@H]2[C@@]([C@H]1CC(CC=C)OS(=O)(=O)O)(CCCC2(C)C)C IC50 = 185000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQ7S5C 9-(Ethoxymethyl)-4-methyl-9-(pyrrolidin-1-ylmethyl)-8H-pyrano[2,3-f]chromene-2,10-dione Investigative 46882186 C21H25NO5 371.4 CCOCC1(COC2=C(C1=O)C3=C(C=C2)C(=CC(=O)O3)C)CN4CCCC4 IC50 = 82700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQ9E2A 2-(4-Methoxyphenyl)-2-oxoacetic acid Investigative 584714 C9H8O4 180.16 COC1=CC=C(C=C1)C(=O)C(=O)O IC50 = 150000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQ9PK6 9-(Diethylaminomethyl)-9-(ethoxymethyl)-4-methyl-8H-pyrano[2,3-f]chromene-2,10-dione Investigative 46882187 C21H27NO5 373.4 CCN(CC)CC1(COC2=C(C1=O)C3=C(C=C2)C(=CC(=O)O3)C)COCC IC50 = 90400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQF9M0 Tetrahydroisoquinoline (TIQ) deriv. 9b Investigative 11236561 C22H27N3O6S 461.5 CC(C)(C)OC(=O)N1CC2=C(C[C@H]1C(=O)NCC3=CC=CC=C3)C=CC(=C2)NS(=O)(=O)O IC50 = 120200 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQG3K7 1-(4-Hydroxy-3-methoxyphenyl)-3-(naphthalen-2-yl)prop-2-en-1-one Investigative 9448597 C20H16O3 304.3 COC1=C(C=CC(=C1)C(=O)/C=C/C2=CC3=CC=CC=C3C=C2)O IC50 = 123030 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BQO32M (5E)-5-{4-[(4-Chlorobenzyl)oxy]benzylidene}imidazolidine-2,4-dione Investigative 21213049 C17H13ClN2O3 328.7 C1=CC(=CC=C1COC2=CC=C(C=C2)/C=C/3\\C(=O)NC(=O)N3)Cl IC50 = 122000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BR03FQ 3-(1,3-Benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one Investigative 5383850 C16H11NO5 297.26 C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC(=CC=C3)[N+](=O)[O-] IC50 = 107000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BR4M2F 5-Biphenyl-3-yl-1,1-dioxo-1lambda*6*-[1,2,5]thiadiazolidin-3-one Investigative 44399816 C14H12N2O3S 288.32 C1C(=O)NS(=O)(=O)N1C2=CC=CC(=C2)C3=CC=CC=C3 IC50 = 132000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BR5TF9 4-Ethynyl-alpha,alpha-difluorobenzylphosphonic acid Investigative 44366691 C9H7F2O3P 232.12 C#CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O IC50 = 77500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BR72IS 1,4,5,6-Tetrahydroxy-2-(2-methylbut-3-en-2-yl)xanthen-9-one Investigative 10426622 C18H16O6 328.3 CC(C)(C=C)C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C(=C(C=C3)O)O)O IC50 = 53000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BR7SN2 5-(2-Methoxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one Investigative 44399820 C9H10N2O4S 242.25 COC1=CC=CC=C1N2CC(=O)NS2(=O)=O IC50 = 138000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BR8V6T 2-(Oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-C]pyridine-3-carboxylic acid Investigative 444766 C10H10N2O5S 270.26 C1CNCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O Ki = 50118.72 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BR94YB 3-Hydroxy-2-(hydroxymethyl)-4-[N-[(4-methylphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one Investigative 135797388 C29H45NO4 471.7 CCCCCCCCCCCCCCCC(=NCC1=CC=C(C=C1)C)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BRE2Y9 Abyssinones III Investigative 10408069 C25H26O4 390.5 CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)[C@@H]3CC(=O)C4=C(O3)C=C(C=C4)O)C IC50 = 72900 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BRHP24 4-[N-[(4-Fluorophenyl)methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one Investigative 136254274 C28H42FNO4 475.6 CCCCCCCCCCCCCCCC(=NCC1=CC=C(C=C1)F)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BRI42G 2-[(4E)-3-Benzyl-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid Investigative 122193547 C19H16N2O5 352.3 C1=CC=C(C=C1)CN2/C(=C/C3=CC=C(C=C3)O)/C(=O)N(C2=O)CC(=O)O IC50 = 142000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BRVG81 (E)-1-(5-Chloro-2-thienyl)-3-(2-naphthyl)prop-2-en-1-one Investigative 56945877 C17H11ClOS 298.8 C1=CC=C2C=C(C=CC2=C1)/C=C/C(=O)C3=CC=C(S3)Cl IC50 = 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BS9Q0R (E)-2-(4-Butyl-phenyl)-ethenesulfonic acid (4,5-diphenyl-thiazol-2-yl)-amide Investigative 44337589 C27H26N2O2S2 474.6 CCCCC1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BSB5E3 3-Hydroxy-2-(hydroxymethyl)-4-[N-[(2-methoxyphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one Investigative 136254279 C29H45NO5 487.7 CCCCCCCCCCCCCCCC(=NCC1=CC=CC=C1OC)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BSJ68E Naringenin Investigative 439246 C15H12O5 272.25 C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O IC50 = 130100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BSM9H4 4-[(3Ar,7aS)-7-methyl-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-N-[(E)-(4-bromophenyl)methylideneamino]benzenesulfonamide Investigative 90667494 C22H18BrN3O5S 516.4 CC12C=CC(O1)[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)S(=O)(=O)N/N=C/C5=CC=C(C=C5)Br IC50 = 88000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BSMJ21 3-(3,4-Dibromobenzylthio)thiophene-2-carboxylic acid Investigative 54757810 C12H8Br2O2S2 408.1 C1=CC(=C(C=C1CSC2=C(SC=C2)C(=O)O)Br)Br IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BSP2Y1 Ethyl 2-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate Investigative 60152037 C14H14N2O5 290.27 CCOC(=O)COC1=CC=C(C=C1)/C=C/2\\C(=O)NC(=O)N2 IC50 = 172000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BSV9K0 Tetrahydroisoquinoline (TIQ) deriv. 10f Investigative 11236319 C20H22ClN3O5S 451.9 CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC3=CC(=CC=C3)Cl)C=C(C=C2)NS(=O)(=O)O IC50 = 101100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BSVY97 2-[4-[[[4-(Carboxymethoxy)phenyl]sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenoxy]acetic acid Investigative 44450335 C26H23N3O8S2 569.6 C1=CC(=CC=C1CN(CC2=CC=C(C=C2)OCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OCC(=O)O)C4=CSN=N4 IC50 = 59600 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BSX0Z1 N-[2-(4-Methoxyphenyl)ethyl]-2-phenoxyacetamide Investigative 2711328 C17H19NO3 285.34 COC1=CC=C(C=C1)CCNC(=O)COC2=CC=CC=C2 IC50 = 74000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BSZ63J 3-Hydroxy-2-(hydroxymethyl)-4-[N-[(3-hydroxyphenyl)methyl]-C-pentadecylcarbonimidoyl]-2H-furan-5-one Investigative 135797381 C28H43NO5 473.6 CCCCCCCCCCCCCCCC(=NCC1=CC(=CC=C1)O)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BT1HE9 PTP1B Inhibitor, 7 Investigative 71463481 C20H20N2O3 336.4 CC1(C=CC2=C(O1)C=CC(=C2OC)C3=NOC(C3)C4=CC=CC=N4)C IC50 = 87000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BT9Z5A 1-[(1S,4As,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]hexan-2-yl hydrogen sulfate Investigative 44303463 C20H36O4S 372.6 CCCCC(C[C@H]1C(=CC[C@@H]2[C@@]1(CCCC2(C)C)C)C)OS(=O)(=O)O IC50 = 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BTC7N3 Sigmoidin C Investigative 44424648 C20H18O6 354.4 CC1(C=CC2=C(O1)C(=CC(=C2)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BTD81A (2-Methoxy-2-oxoethyl) 2-[(4E)-3-benzyl-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate Investigative 122193550 C25H24N2O9 496.5 COC(=O)COC1=CC=C(C=C1)/C=C/2\\C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)OCC(=O)OC IC50 = 101000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BTJX15 Licocoumarone Investigative 503731 C20H20O5 340.4 CC(=CCC1=C(C2=C(C=C1O)OC(=C2)C3=C(C=C(C=C3)O)O)OC)C IC50 = 71200 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BTS87P 2-{[6-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-{5-[(3-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide Investigative 3433760 C27H19N5O3S4 589.7 CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BU48IR Chembl4159605 Investigative 145957853 C16H11BrN2O5S 423.2 C1=CC(=CC=C1OC(=O)CSC2=NN=C(O2)C3=CC(=C(C=C3)O)O)Br IC50 = 115340 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BU65CJ 3-[4-[4-[[(2R,3R,4S,5R,6S)-3,4,5-Tribenzoyloxy-6-methoxyoxan-2-yl]methoxymethyl]triazol-1-yl]butoxy]benzoic acid Investigative 56681853 C42H41N3O12 779.8 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CN(N=N2)CCCCOC3=CC=CC(=C3)C(=O)O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 IC50 = 60100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BU6KM5 2-[4-[2-(1,3-Benzoxazol-2-yl)-2-[(4-chlorobenzoyl)sulfamoyl]ethyl]anilino]-2-oxoacetic acid Investigative 71602706 C24H18ClN3O7S 527.9 C1=CC=C2C(=C1)N=C(O2)C(CC3=CC=C(C=C3)NC(=O)C(=O)O)S(=O)(=O)NC(=O)C4=CC=C(C=C4)Cl Ki = 82400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BU8VI7 PTP1B Inhibitor, 5 Investigative 71463479 C21H21NO3 335.4 CC1(C=CC2=C(O1)C=CC(=C2OC)C3=NOC(C3)C4=CC=CC=C4)C IC50 = 70000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BU95DM N-(1-Benzyl-1H-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Investigative 1933357 C23H18N4O2S 414.5 C1=CC=C(C=C1)CN2C(=CC3=NC4=CC=CC=C4N=C32)NS(=O)(=O)C5=CC=CC=C5 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BU9A6P Azane;[[7-[difluoro(phosphono)methyl]naphthalen-1-yl]-difluoromethyl]phosphonic acid Investigative 49796578 C12H13F4NO6P2 405.18 C1=CC2=C(C=C(C=C2)C(F)(F)P(=O)(O)O)C(=C1)C(F)(F)P(=O)(O)O.N IC50 = 118000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BUB2C6 1-[2-(5-Acetyl-6-hydroxy-1-benzofuran-3-yl)-6-hydroxy-1-benzofuran-5-yl]ethanone Investigative 44422131 C20H14O6 350.3 CC(=O)C1=C(C=C2C(=C1)C=C(O2)C3=COC4=CC(=C(C=C43)C(=O)C)O)O Ki = 61000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BUBF69 2-[4-[[[4-(Carboxymethoxy)phenyl]sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenyl]propanoic acid Investigative 44450308 C27H25N3O7S2 567.6 CC(C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C3=CSN=N3)S(=O)(=O)C4=CC=C(C=C4)OCC(=O)O)C(=O)O IC50 = 153000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BUE1N5 N-[2-(4-Methoxyphenyl)ethyl]-2-(2-nitrophenyl)-acetamide Investigative 4471649 C17H18N2O4 314.34 COC1=CC=C(C=C1)CCNC(=O)CC2=CC=CC=C2[N+](=O)[O-] IC50 = 87000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BUO47G Symphoxanthone Investigative 15292820 C18H16O6 328.3 CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C2=O)C=CC(=C3O)O)O)O IC50 = 85500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BURG65 alpha,alpha-Difluoro-3-(methylsulfonylamino)-4-[(E)-styryl]benzylphosphonic acid Investigative 44366499 C16H16F2NO5PS 403.3 CS(=O)(=O)NC1=C(C=CC(=C1)C(F)(F)P(=O)(O)O)/C=C/C2=CC=CC=C2 IC50 = 175700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BUT85K 2',4'-Dihydroxy-4-methoxychalcone Investigative 5711223 C16H14O4 270.28 COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BUW7D6 Chembl4212452 Investigative 145964831 C22H15NO4 357.4 C1=CC=C(C=C1)C2=C(C(=NO2)C(=O)O)C3=CC=CC(=C3)C4=CC(=CC=C4)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BV57YN 5-[(E)-2-(3-Carboxy-4-hydroxyphenyl)ethenyl]-2-hydroxy-3-phenylbenzoic acid Investigative 44563618 C22H16O6 376.4 C1=CC=C(C=C1)C2=C(C(=CC(=C2)/C=C/C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O IC50 = 125000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BV7K8P 3-(Benzylthio)thiophene-2-carboxylic acid Investigative 14024697 C12H10O2S2 250.3 C1=CC=C(C=C1)CSC2=C(SC=C2)C(=O)O IC50 ~ 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BV9P2W alpha,alpha-Difluoro-3-(methylsulfonylamino)-4-(phenylethynyl)benzylphosphonic acid Investigative 15486040 C16H14F2NO5PS 401.3 CS(=O)(=O)NC1=C(C=CC(=C1)C(F)(F)P(=O)(O)O)C#CC2=CC=CC=C2 IC50 = 167100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BVL20U N-(4-Phenyl-5-ethyl-2-thiazolyl)-2-(2-chlorophenyl)ethenesulfonamide Investigative 44337612 C19H17ClN2O2S2 404.9 CCC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC=CC=C2Cl)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BVLJ14 Benzoic acid, 3,3'-methylenebis[5-bromo-6-hydroxy- Investigative 14785818 C15H10Br2O6 446.04 C1=C(C=C(C(=C1C(=O)O)O)Br)CC2=CC(=C(C(=C2)Br)O)C(=O)O IC50 = 78000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BVOC29 Benzoic acid, 2-[(carboxycarbonyl)(2,3-dimethylphenyl)amino]- Investigative 9836432 C17H15NO5 313.3 CC1=C(C(=CC=C1)N(C2=CC=CC=C2C(=O)O)C(=O)C(=O)O)C Ki = 93000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BVR0D6 3-(4,7-Dimethoxybenzofuran-5-yl)-5-(4-methoxyphenyl)-4,5-dihydroisoxazole Investigative 11948629 C20H19NO5 353.4 COC1=CC=C(C=C1)C2CC(=NO2)C3=CC(=C4C(=C3OC)C=CO4)OC IC50 = 81000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BVWG31 (2S)-2-(3,4-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dihydroxy-2,3-dihydrochromen-4-one Investigative 44589217 C20H20O7 372.4 CC1(C(C(C2=C(O1)C=CC(=C2)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)O)O)C IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BW0IP2 4,5-Di-O-caffeoylquinic acid Investigative 6474309 C25H24O12 516.4 C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O IC50 = 59400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BW0IQ7 4-[[(4E)-3-Benzyl-4-[[4-(carboxymethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]benzoic acid Investigative 122193545 C27H22N2O7 486.5 C1=CC=C(C=C1)CN2/C(=C/C3=CC=C(C=C3)OCC(=O)O)/C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)O IC50 = 103000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BW7VS3 4-[Acetyl(6,7,8,9-tetrahydrodibenzofuran-2-yl)sulfamoyl]benzoic acid Investigative 2964738 C21H19NO6S 413.4 CC(=O)N(C1=CC2=C(C=C1)OC3=C2CCCC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O IC50 = 120000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BW85AO 5-{(S)-2-((S)-1-Carbamoyl-3-methyl-butylcarbamoyl)-2-[(S)-4-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-butyrylamino]-ethyl}-2-carboxymethoxy-benzoic acid Investigative 44320455 C38H42N4O12 746.8 CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 IC50 = 54700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BW9ID3 Phosphonic acid, (difluoro-2-naphthalenylmethyl)- Investigative 10422621 C11H9F2O3P 258.16 C1=CC=C2C=C(C=CC2=C1)C(F)(F)P(=O)(O)O IC50 = 95000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BW9X2R (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(Z)-6-Hydroxy-6-methylhept-2-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol Investigative 71719757 C30H52O3 460.7 C/C(=C/CCC(C)(C)O)/[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BWD37G (1S,2S,17S,19R)-12-Hydroxy-19-[(Z)-3-hydroxy-2-methylprop-1-enyl]-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione Investigative 137631809 C32H36O7 532.6 CC(=CCC1=C2C(=C(C3=C1O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)/C=C(/C)\\CO)O)C=CC(O2)(C)C)C IC50 = 70250 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BWK09B Kanzonol Y Investigative 10001604 C25H30O5 410.5 CC(=CCC1=CC(=C(C=C1O)O)C(=O)[C@@H](CC2=CC(=C(C=C2)O)CC=C(C)C)O)C IC50 = 90500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BWK6O9 Chembl4210532 Investigative 145966877 C22H14FNO4 375.3 C1=CC=C(C=C1)C2=C(C(=NO2)C(=O)O)C3=CC=CC(=C3)C4=CC(=C(C=C4)O)F IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BWMZ48 Euchrestaflavanone A Investigative 484588 C25H28O5 408.5 CC(=CCC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)C IC50 = 62400 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BWR7S0 2-[4-[2-(1H-Benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl]-2-hydroxyphenoxy]acetic acid Investigative 71602597 C23H20FN3O6S 485.5 C1=CC=C2C(=C1)NC(=N2)C(CC3=CC(=C(C=C3)OCC(=O)O)O)S(=O)(=O)NC4=CC=C(C=C4)F Ki = 162000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BX0GS5 4-[N-[[3-(Dimethylamino)phenyl]methyl]-C-pentadecylcarbonimidoyl]-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one Investigative 135797380 C30H48N2O4 500.7 CCCCCCCCCCCCCCCC(=NCC1=CC(=CC=C1)N(C)C)C2=C(C(OC2=O)CO)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BX1HZ3 4-[[(4E)-3-Benzyl-4-[[4-[(4-carboxyphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]benzoic acid Investigative 122193544 C33H26N2O7 562.6 C1=CC=C(C=C1)CN2/C(=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)/C(=O)N(C2=O)CC5=CC=C(C=C5)C(=O)O IC50 = 89000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BX3W6A Tetrahydroisoquinoline (TIQ) deriv. 10d Investigative 23646402 C22H25F3N4O7S2 578.6 CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC3=CC(=CC(=C3)NS(=O)(=O)C)C(F)(F)F)C=C(C=C2)NS(=O)(=O)O IC50 = 183700 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BX45TR Chembl4212874 Investigative 145967464 C22H15NO4 357.4 C1=CC=C(C=C1)C2=C(C(=NO2)C(=O)O)C3=CC=CC(=C3)C4=CC=C(C=C4)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BXE2T8 N-[4-Phenyl-5-decyl-2-thiazolyl]-2-(2-chlorophenyl)ethenesulfonamide Investigative 44337441 C27H33ClN2O2S2 517.1 CCCCCCCCCCC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC=CC=C2Cl)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BXHT84 1-[2-(5-Acetyl-4-hydroxy-1-benzofuran-3-yl)-4-hydroxy-1-benzofuran-5-yl]ethanone Investigative 44422132 C20H14O6 350.3 CC(=O)C1=C(C2=C(C=C1)OC(=C2)C3=COC4=C3C(=C(C=C4)C(=O)C)O)O IC50 = 58800 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BXLM27 2-(5-(2-(2-(4-Chlorophenyl)-4-methylthiazol-5-yl)ethoxy)-1-(methoxymethyl)-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid Investigative 44444624 C25H22ClF3N2O5S 555 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)CCOC3=CC4=C(C=C3)N(C=C4C(C(=O)O)(C(F)(F)F)O)COC IC50 = 59000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BY1RZ6 3-(2-(4-((3-Benzoyl-1-cyanoindolizin-5-yl)methoxy)phenyl)-4-methylpentanamido)-3-phenylpropanoic acid Investigative 44406035 C38H35N3O5 613.7 CC(C)CC(C1=CC=C(C=C1)OCC2=CC=CC3=C(C=C(N32)C(=O)C4=CC=CC=C4)C#N)C(=O)NC(CC(=O)O)C5=CC=CC=C5 IC50 = 80600 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BY2DJ8 2-[(3,4-Dichlorobenzyl)sulfanyl]benzoic Acid Investigative 4584157 C14H10Cl2O2S 313.2 C1=CC=C(C(=C1)C(=O)O)SCC2=CC(=C(C=C2)Cl)Cl IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BY3N8X Methyl (2S)-2-[4-(benzamidomethyl)triazol-1-yl]-3-(4-hydroxyphenyl)propanoate Investigative 53319270 C20H20N4O4 380.4 COC(=O)[C@H](CC1=CC=C(C=C1)O)N2C=C(N=N2)CNC(=O)C3=CC=CC=C3 IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BY5OC8 Odoratin Investigative 13965473 C17H14O6 314.29 COC1=C(C=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O)O IC50 = 70000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BY81GQ Sodium;5-[difluoro-(3-phenylphenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene Investigative 23675509 C14H9F2N4Na 294.23 C1=CC=C(C=C1)C2=CC(=CC=C2)C(C3=NN=N[N-]3)(F)F.[Na+] Ki = 98000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BY9Z0J Sodium;difluoro(naphthalen-2-yl)methanesulfonate Investigative 44340098 C11H7F2NaO3S 280.22 C1=CC=C2C=C(C=CC2=C1)C(F)(F)S(=O)(=O)[O-].[Na+] IC50 = 175000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BY9ZD6 4-(Phenylethynyl)-alpha,alpha-difluorobenzylphosphonic acid Investigative 44366478 C15H11F2O3P 308.22 C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O IC50 = 128300 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BYJU42 2-[3-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenoxy]-2,2-difluoroacetic acid Investigative 44450292 C24H19F2N3O5S2 531.6 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC(=CC=C4)OC(C(=O)O)(F)F IC50 = 198000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BYOK51 Azane;[(3S)-3-(methylcarbamoyl)-2-(3-phenoxypropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Investigative 49797133 C20H26N4O6S 450.5 CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCOC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O.N IC50 = 83600 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BYV89S 5-(3'-(3-(Carboxy)isoxazol-5-yl)-1,1'-biphenyl-3-yl)isoxazole-3-carboxylic acid Investigative 10429577 C20H12N2O6 376.3 C1=CC(=CC(=C1)C2=CC(=NO2)C(=O)O)C3=CC(=CC=C3)C4=CC(=NO4)C(=O)O Ki = 79432.82 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BYW7U8 (E)-2-Naphthalen-2-yl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide Investigative 44337402 C30H26N2O2S2 510.7 CCCC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)C5=CC=CC=C5 IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BZ0O2E Atranorin Investigative 68066 C19H18O8 374.3 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O IC50 = 63500 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BZ0TX5 Abyssinoflavone V Investigative 16737249 C20H18O5 338.4 CC1(C=CC2=C(O1)C=CC(=C2)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)C IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BZ21GC 5-[4-Fluoro-3-[4-hydroxy-3-(3-hydroxy-2-methoxycarbonylphenoxy)butyl]phenyl]-1,2-oxazole-3-carboxylic acid Investigative 45269583 C22H20FNO8 445.4 COC(=O)C1=C(C=CC=C1OC(CCC2=C(C=CC(=C2)C3=CC(=NO3)C(=O)O)F)CO)O Ki = 125892.54 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BZ5QB3 (E)-2-Biphenyl-4-yl-ethenesulfonic acid (4,5-diphenyl-thiazol-2-yl)-amide Investigative 44337597 C29H22N2O2S2 494.6 C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/S(=O)(=O)NC3=NC(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5 IC50 = 90000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BZ6VF8 2-(2-(4-(Trifluoromethyl)benzyloxy)-4-bromo-6-hydroxyphenoxy)acetic acid Investigative 44434672 C16H12BrF3O5 421.16 C1=CC(=CC=C1COC2=CC(=CC(=C2OCC(=O)O)O)Br)C(F)(F)F IC50 = 73000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BZ94VE Phytyl acetate Investigative 637195 C22H42O2 338.6 C[C@@H](CCC[C@@H](C)CCC/C(=C/COC(=O)C)/C)CCCC(C)C IC50 = 50020 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BZB02H (E)-2-(4-Methylphenyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]ethenesulfonamide Investigative 44337439 C27H26N2O2S2 474.6 CCCC1=C(N=C(S1)NS(=O)(=O)/C=C/C2=CC=C(C=C2)C)C3=CC=C(C=C3)C4=CC=CC=C4 IC50 = 58000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BZI57H 2-[4-[2-(1,3-Benzoxazol-2-yl)-2-[(4-methoxyphenyl)sulfamoyl]ethyl]anilino]-2-oxoacetic acid Investigative 71602753 C24H21N3O7S 495.5 COC1=CC=C(C=C1)NS(=O)(=O)C(CC2=CC=C(C=C2)NC(=O)C(=O)O)C3=NC4=CC=CC=C4O3 Ki = 68800 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BZKE25 Sulfuric acid mono-[2-(benzothiazol-2-yloxy)-1-benzyl-ethyl] ester Investigative 44303489 C16H15NO5S2 365.4 C1=CC=C(C=C1)CC(COC2=NC3=CC=CC=C3S2)OS(=O)(=O)O IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BZL0O8 (2S)-5,7-Dihydroxy-2-[8-hydroxy-2-(hydroxymethyl)-2-methylchromen-6-yl]-2,3-dihydrochromen-4-one Investigative 44589107 C20H18O7 370.4 CC1(C=CC2=C(O1)C(=CC(=C2)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)O)CO IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B BZQ04U (S)-5,7-Dihydroxy-2-(2,2,9,9-tetramethyl-2,9-dihydropyrano[3,2-h]chromen-5-yl)chroman-4-one Investigative 44589108 C25H24O6 420.5 CC1(C=CC2=CC(=C3C=CC(OC3=C2O1)(C)C)[C@@H]4CC(=O)C5=C(C=C(C=C5O4)O)O)C IC50 ~ 60000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B D03BHQ FORMYLCHROMONE Investigative 45273571 C22H14O3 326.3 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C(=O)C(=CO4)C=O Ki = 51000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B D03KJL 1-Iodyl-4-nitro-benzene Investigative 10107739 C6H4INO4 281 C1=CC(=CC=C1[N+](=O)[O-])I(=O)=O IC50 = 130000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B D08GDJ ISOTHIAZOLIDINONE ANALOG Investigative 9547915 C23H26N4O6S 486.5 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N IC50 ~ 100000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B D0F3QP 4-hydroxylonchocarpin Investigative 5889042 C20H18O4 322.4 CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)/C=C/C3=CC=C(C=C3)O)C IC50 = 74100 nM Poor binder T16347 Protein-tyrosine phosphatase 1B D0G7HN 4-Iodyl-benzoic acid Investigative 3718733 C7H5IO4 280.02 C1=CC(=CC=C1C(=O)O)I(=O)=O IC50 = 200000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B D0K4PY LIQUIRTIGENIN Investigative 114829 C15H12O4 256.25 C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O IC50 ~ 50000 nM Poor binder T16347 Protein-tyrosine phosphatase 1B D0W1OR 3,5-dihydroxybenzoic acid Investigative 7424 C7H6O4 154.12 C1=C(C=C(C=C1O)O)C(=O)O IC50 ~ 100000 nM Poor binder