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 B0BHG5 2-[4-[[(2S)-2-(Acetylamino)-3-[4-(3-hydroxy-2-pyridinylcarbonylamino)phenyl]propionyl]amino]butoxy]-6-hydroxybenzoic acid methyl ester Investigative 44351419 C29H32N4O8 564.6 CC(=O)N[C@@H](CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=N2)O)C(=O)NCCCCOC3=CC=CC(=C3C(=O)OC)O Ki > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B0K8AV {Difluoro-[4-((E)-styryl)-phenyl]-methyl}-phosphonic acid Investigative 44366675 C15H13F2O3P 310.23 C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(F)(F)P(=O)(O)O IC50 = 449900 nM Non binder T16347 Protein-tyrosine phosphatase 1B B0XR5N 2-[(S)-Diethoxyphosphoryl-(4-nitroanilino)methyl]phenol Investigative 57397769 C17H21N2O6P 380.3 CCOP(=O)([C@@H](C1=CC=CC=C1O)NC2=CC=C(C=C2)[N+](=O)[O-])OCC IC50 = 217000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B16YKN 3-Carboxymethoxy-naphthalene-2,7-dicarboxylic acid Investigative 11044461 C14H10O7 290.22 C1=CC(=CC2=CC(=C(C=C21)OCC(=O)O)C(=O)O)C(=O)O Ki = 250000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B1EK8X 4-(1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide Investigative 56668381 C21H16N4O7S 468.4 C1=CC2C3C(C1O2)C(=O)N(C3=O)C4=CC=C(C=C4)S(=O)(=O)N/N=C/C5=CC=C(C=C5)[N+](=O)[O-] IC50 = 245000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B1EM8D Sodium;2,2-difluoro-2-naphthalen-2-ylacetate Investigative 44340083 C12H7F2NaO2 244.17 C1=CC=C2C=C(C=CC2=C1)C(C(=O)[O-])(F)F.[Na+] IC50 = 640000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B1MAJ8 2-Carboxymethoxy-naphthalene-1,6-dicarboxylic acid Investigative 11808397 C14H10O7 290.22 C1=CC2=C(C=CC(=C2C(=O)O)OCC(=O)O)C=C1C(=O)O Ki = 900000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B1O0UE 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid Investigative 3383 C20H12O5 332.3 C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O IC50 = 600000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B1Q7VL 1-(1H-Benzimidazol-2-yl)-2-(3,4-dihydroxyphenyl)-N-(4-fluorophenyl)ethanesulfonamide Investigative 71602467 C21H18FN3O4S 427.5 C1=CC=C2C(=C1)NC(=N2)C(CC3=CC(=C(C=C3)O)O)S(=O)(=O)NC4=CC=C(C=C4)F Ki = 211500 nM Non binder T16347 Protein-tyrosine phosphatase 1B B1ZM3U alpha,alpha-Difluoro-4-(4-methoxyphenyl)benzylphosphonic acid Investigative 44366696 C14H13F2O4P 314.22 COC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)P(=O)(O)O IC50 = 451400 nM Non binder T16347 Protein-tyrosine phosphatase 1B B27XVM 2-[4-[[[4-(Carboxymethoxy)phenyl]sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]-2-methoxyphenoxy]-2,2-difluoroacetic acid Investigative 44450319 C27H23F2N3O9S2 635.6 COC1=C(C=CC(=C1)CN(CC2=CC=C(C=C2)C3=CSN=N3)S(=O)(=O)C4=CC=C(C=C4)OCC(=O)O)OC(C(=O)O)(F)F IC50 > 250000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B2BU6T 2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetylamino}-acetylamino)-5-guanidino-pentanoylamino]-5-guanidino-pentanoic acid Investigative 44334378 C24H36BrN9O7 642.5 C1=CC(=CC=C1C(=O)CBr)OCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O Ki = 760000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B2HMV7 3-Benzyl-2-hydroxybenzoic acid Investigative 13922429 C14H12O3 228.24 C1=CC=C(C=C1)CC2=C(C(=CC=C2)C(=O)O)O IC50 = 403000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B2JFU8 4-[2-(1H-Benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl]benzoic acid Investigative 71600596 C22H18FN3O4S 439.5 C1=CC=C2C(=C1)NC(=N2)C(CC3=CC=C(C=C3)C(=O)O)S(=O)(=O)NC4=CC=C(C=C4)F Ki > 500000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B2KZ3M 5-Formyl-2-hydroxy-3-(oxolan-2-yl)benzoic acid Investigative 44424282 C12H12O5 236.22 C1CC(OC1)C2=C(C(=CC(=C2)C=O)C(=O)O)O IC50 = 380000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B3L4YK Diethyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-phenoxy)-ethyl]-amine Investigative 25198918 C23H24N2O2 360.4 CCN(CC)CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC4=CC=CC=C43 Ki = 355000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B3QSZ9 2-(4-(Carboxymethoxy)-3-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethoxy)phenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid Investigative 44444657 C23H19ClF3NO7S 545.9 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)CCOC3=C(C=CC(=C3)C(C(=O)O)(C(F)(F)F)O)OCC(=O)O IC50 = 500000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B3UAO1 2-[(1S,4As,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl hydrogen sulfate Investigative 44303516 C16H28O4S 316.5 CC1=CC[C@@H]2[C@@]([C@H]1CCOS(=O)(=O)O)(CCCC2(C)C)C IC50 > 320000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B42NCD Saturated (R, S)-IZD Investigative 23646520 C23H26N4O6S 486.5 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)C3CC(=O)NS3(=O)=O)C(=O)N IC50 = 660693.45 nM Non binder T16347 Protein-tyrosine phosphatase 1B B45HVL 2-Hydroxy-6-[4-[N-(tert-butoxycarbonyl)-4-[3-oxo-3-hydroxypropyl(1,2-dioxo-2-hydroxyethyl)amino]-L-phenylalanylamino]butoxy]benzoic acid methyl ester Investigative 44336385 C31H39N3O12 645.7 CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)N(CCC(=O)O)C(=O)C(=O)O)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O Ki > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B4A8TL 2-[(S)-(4-Chloroanilino)-diethoxyphosphorylmethyl]phenol Investigative 57399431 C17H21ClNO4P 369.8 CCOP(=O)([C@@H](C1=CC=CC=C1O)NC2=CC=C(C=C2)Cl)OCC IC50 = 373000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B4B1KE 1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)ethanone Investigative 14602300 C10H12O4 196.2 CC1=C(C=C(C(=C1O)C(=O)C)O)OC IC50 > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B4M1BW 2-[4-[[(2S)-2-(Acetylamino)-3-[3-amino-4-(2-oxo-2-hydroxyethoxy)phenyl]propionyl]amino]butoxy]-6-hydroxybenzoic acid methyl ester Investigative 44351420 C25H31N3O9 517.5 CC(=O)N[C@@H](CC1=CC(=C(C=C1)OCC(=O)O)N)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O Ki > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B4QL3P 3,3'-Methylenebis(5-fluoro-2-hydroxybenzoic acid) Investigative 21591394 C15H10F2O6 324.23 C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)F)C(=O)O)O)O)C(=O)O)F IC50 = 215000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B4SE5T (1S,2S,17S,19R)-12-Hydroxy-8,8,21,21-tetramethyl-5,19-bis(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 11432549 C33H38O6 530.6 CC(=CCC1=C2C(=C(C3=C1O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)CC=C(C)C)O)C=CC(O2)(C)C)C IC50 > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B4ZY5D 4-Phenyl-1-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl)-butan-2-ol Investigative 44303639 C24H36O 340.5 CC1=CC[C@@H]2[C@@]([C@H]1CC(CCC3=CC=CC=C3)O)(CCCC2(C)C)C IC50 > 290000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B5EYD4 2-[4-[2-(1,3-Benzoxazol-2-yl)-2-(tert-butylsulfamoyl)ethyl]anilino]-2-oxoacetic acid Investigative 71602348 C21H23N3O6S 445.5 CC(C)(C)NS(=O)(=O)C(CC1=CC=C(C=C1)NC(=O)C(=O)O)C2=NC3=CC=CC=C3O2 Ki = 228000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B5FW8T 3-{2-[(3Z)-5-{[(4-Chlorophenyl)methyl]carbamoyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid Investigative 135924023 C23H17ClN4O4 448.9 C1=CC(=CC(=C1)N=NC2=C(NC3=C2C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)O)C(=O)O IC50 > 300000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B5JSQ0 2-(2-(Benzyloxy)-4-bromo-6-hydroxyphenoxy)acetic acid Investigative 44434671 C15H13BrO5 353.16 C1=CC=C(C=C1)COC2=CC(=CC(=C2OCC(=O)O)O)Br IC50 = 300000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B5RTE0 1,1-Dioxo-5-o-tolyl-1lambda*6*-[1,2,5]thiadiazolidin-3-one Investigative 44399819 C9H10N2O3S 226.25 CC1=CC=CC=C1N2CC(=O)NS2(=O)=O IC50 = 203000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B5VUY0 2-[4-[2-(1,3-Benzoxazol-2-yl)-2-sulfamoylethyl]anilino]-2-oxoacetic acid Investigative 71602401 C17H15N3O6S 389.4 C1=CC=C2C(=C1)N=C(O2)C(CC3=CC=C(C=C3)NC(=O)C(=O)O)S(=O)(=O)N Ki = 331000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B5YSA6 Sodium;2,2-difluoro-2-(3-phenylphenyl)acetate Investigative 44340331 C14H9F2NaO2 270.21 C1=CC=C(C=C1)C2=CC(=CC=C2)C(C(=O)[O-])(F)F.[Na+] IC50 = 435000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B62ATL Polyestradiol phosphate Investigative 66435 C18H25O5P 352.4 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)O IC50 > 300000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B64CPN 2-[4-[[[4-(Carboxymethoxy)phenyl]sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]-2,6-dimethylphenoxy]-3-phenylpropanoic acid Investigative 44450291 C35H33N3O8S2 687.8 CC1=CC(=CC(=C1OC(CC2=CC=CC=C2)C(=O)O)C)CN(CC3=CC=C(C=C3)C4=CSN=N4)S(=O)(=O)C5=CC=C(C=C5)OCC(=O)O IC50 > 250000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B6ASY0 4'-(Bromoacetyl)biphenyl-2-carboxylic acid Investigative 44334324 C15H11BrO3 319.15 C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)CBr)C(=O)O Ki = 220000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B6F9WZ 4-Hydroxyphenylglyoxylic acid Investigative 355 C8H6O4 166.13 C1=CC(=CC=C1C(=O)C(=O)O)O IC50 = 250000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B6K0QV Oxo-pentafluorophenyl-acetic acid Investigative 11139219 C8HF5O3 240.08 C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C(=O)O IC50 = 790000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B6K5MA 2-(N-[4-[[[4-(Carboxymethoxy)phenyl]sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenyl]anilino)-2-oxoacetic acid Investigative 44450364 C32H26N4O8S2 658.7 C1=CC=C(C=C1)N(C2=CC=C(C=C2)CN(CC3=CC=C(C=C3)C4=CSN=N4)S(=O)(=O)C5=CC=C(C=C5)OCC(=O)O)C(=O)C(=O)O IC50 > 250000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B6PY0N Sodium;5-[difluoro(naphthalen-2-yl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene Investigative 23702953 C12H7F2N4Na 268.2 C1=CC=C2C=C(C=CC2=C1)C(C3=NN=N[N-]3)(F)F.[Na+] IC50 = 230000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B6X2YE Sodium 5-[(4-nitrophenyl)azo]salicylate Investigative 15587 C13H8N3NaO5 309.21 C1=CC(=CC=C1N=NC2=CC(=C(C=C2)[O-])C(=O)O)[N+](=O)[O-].[Na+] IC50 = 210000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B78MSF 2-[4-[[4-(Carboxymethylsulfinyl)phenyl]methyl-[[4-(thiadiazol-4-yl)phenyl]methyl]sulfamoyl]phenoxy]acetic acid Investigative 44450247 C26H23N3O8S3 601.7 C1=CC(=CC=C1CN(CC2=CC=C(C=C2)S(=O)CC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OCC(=O)O)C4=CSN=N4 IC50 > 250000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B79LXR (E)-1-(2,4-Dimethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one Investigative 7946130 C25H24O5 404.5 COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OC IC50 = 263000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B7LQ9Z 1-((1S,4As,8aS)-2,5,5,8a-Tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl)-pent-4-en-2-ol Investigative 44303254 C19H32O 276.5 CC1=CC[C@@H]2[C@@]([C@H]1CC(CC=C)O)(CCCC2(C)C)C IC50 > 360000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B7XY0O Tetrahydroisoquinoline (TIQ) deriv. 10b Investigative 11431694 C21H22F3N3O5S 485.5 CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC3=CC=C(C=C3)C(F)(F)F)C=C(C=C2)NS(=O)(=O)O IC50 = 224800 nM Non binder T16347 Protein-tyrosine phosphatase 1B B82MAO Sodium;(2S)-2-[[[ethoxy(hydroxy)phosphoryl]-(2-hydroxyphenyl)methyl]amino]-3-(1H-imidazol-5-yl)propanoate Investigative 57380664 C15H19N3NaO6P 391.29 CCOP(=O)(C(C1=CC=CC=C1O)N[C@@H](CC2=CN=CN2)C(=O)[O-])O.[Na+] IC50 = 334000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B82OYQ 5-[4-Acetamido-3-(butanoylamino)phenyl]-1,2-oxazole-3-carboxylic acid Investigative 45267806 C16H17N3O5 331.32 CCCC(=O)NC1=C(C=CC(=C1)C2=CC(=NO2)C(=O)O)NC(=O)C Ki = 251188.64 nM Non binder T16347 Protein-tyrosine phosphatase 1B B8J3CS Fluoro[(naphthalen-2-yl)oxy]propanedioic acid Investigative 44300873 C13H9FO5 264.2 C1=CC=C2C=C(C=CC2=C1)OC(C(=O)O)(C(=O)O)F IC50 = 320000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B8Z2TW (1-Phenanthryloxymethyl)phosphonic acid Investigative 44361260 C15H13O4P 288.23 C1=CC=C2C(=C1)C=CC3=C2C=CC=C3OCP(=O)(O)O Ki = 410000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B92SPR 3-Indoleglyoxylic acid Investigative 73863 C10H7NO3 189.17 C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)O IC50 = 390000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B9C8BX 3-(6-Hydroxynaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Investigative 54768265 C18H21NO5 331.4 CC(C)(C)OC(=O)NC(CC1=CC2=C(C=C1)C=C(C=C2)O)C(=O)O IC50 > 300000 nM Non binder T16347 Protein-tyrosine phosphatase 1B B9CL1S Biphenyl-4-yldifluoromethylphosphonic acid Investigative 44366445 C13H11F2O3P 284.19 C1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)P(=O)(O)O IC50 = 778900 nM Non binder T16347 Protein-tyrosine phosphatase 1B B9WB7F 2-(4,5-Dibromo-2-(2-hydroxyacetyl)thiophen-3-yloxy)acetic acid Investigative 44439122 C8H6Br2O5S 374.01 C(C(=O)C1=C(C(=C(S1)Br)Br)OCC(=O)O)O Ki = 210000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BA29IK 2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-4-methylphenol Investigative 13779016 C10H8F6O2 274.16 CC1=CC(=C(C=C1)O)C(C(F)(F)F)(C(F)(F)F)O IC50 = 360200 nM Non binder T16347 Protein-tyrosine phosphatase 1B BCO36L 8-Methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxylic acid Investigative 45269556 C13H11NO4 245.23 COC1=CC2=C(CCC3=C2ON=C3C(=O)O)C=C1 Ki = 630957.34 nM Non binder T16347 Protein-tyrosine phosphatase 1B BDA84H (2Z)-3-{4-[(2S)-2-{[(Tert-butoxy)carbonyl]amino}-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]phenyl}prop-2-enoic acid Investigative 23646567 C29H36N2O9 556.6 CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)/C=C\\C(=O)O)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O Ki > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BDBS69 2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-5-phenylphenol Investigative 134134309 C15H10F6O2 336.23 C1=CC=C(C=C1)C2=CC(=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)O IC50 > 500000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BDZ41W Tetrahydroisoquinoline (TIQ) deriv. 10a Investigative 11316815 C21H25N3O6S 447.5 CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC3=CC=C(C=C3)OC)C=C(C=C2)NS(=O)(=O)O IC50 = 242000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BDZ50R 3-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-ol Investigative 134131790 C13H8F6O2 310.19 C1=CC=C2C=C(C(=CC2=C1)C(C(F)(F)F)(C(F)(F)F)O)O IC50 = 260400 nM Non binder T16347 Protein-tyrosine phosphatase 1B BE06XR Azane;[(3S)-2-benzoyl-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Investigative 49797131 C18H22N4O5S 406.5 CNC(=O)[C@@H]1CC2=C(CN1C(=O)C3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O.N IC50 = 285700 nM Non binder T16347 Protein-tyrosine phosphatase 1B BE4DJ3 1-(2,5-Dimethoxyphenyl)-3-(naphthalen-1-yl)prop-2-en-1-one Investigative 44419403 C21H18O3 318.4 COC1=CC(=C(C=C1)OC)C(=O)/C=C/C2=CC=CC3=CC=CC=C32 IC50 = 213800 nM Non binder T16347 Protein-tyrosine phosphatase 1B BEDK17 2-[4-[[4-(Carboxymethylsulfonyl)phenyl]methyl-[[4-(thiadiazol-4-yl)phenyl]methyl]sulfamoyl]phenoxy]acetic acid Investigative 44450244 C26H23N3O9S3 617.7 C1=CC(=CC=C1CN(CC2=CC=C(C=C2)S(=O)(=O)CC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OCC(=O)O)C4=CSN=N4 IC50 > 250000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BF25YS 2-[4-[2-(1,3-Benzoxazol-2-yl)-2-[bis(carboxymethyl)sulfamoyl]ethyl]anilino]-2-oxoacetic acid Investigative 71602656 C21H19N3O10S 505.5 C1=CC=C2C(=C1)N=C(O2)C(CC3=CC=C(C=C3)NC(=O)C(=O)O)S(=O)(=O)N(CC(=O)O)CC(=O)O Ki = 235000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BFJS28 2-(4,5-Dibromo-2-(morpholine-4-carbonyl)thiophen-3-yloxy)acetic acid Investigative 44439118 C11H11Br2NO5S 429.08 C1COCCN1C(=O)C2=C(C(=C(S2)Br)Br)OCC(=O)O IC50 = 210000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BFW5O8 (S)-4-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-propionylamino]-3-carboxy-propionylamino}-4-{(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-2-[4-(carboxy-difluoro-methyl)-phenyl]-ethylcarbamoyl}-butyric acid Investigative 12968375 C35H47F2N7O15 843.8 C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)C(C(=O)O)(F)F)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)C IC50 = 650000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BFW98K 2-({4-[(2S)-2-{[(Tert-butoxy)carbonyl]amino}-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]phenyl}amino)acetic acid Investigative 23646566 C28H37N3O9 559.6 CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)NCC(=O)O)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O Ki > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BGNA64 Chembl4211060 Investigative 145965953 C22H14ClNO4 391.8 C1=CC=C(C=C1)C2=C(C(=NO2)C(=O)O)C3=CC=CC(=C3)C4=CC(=C(C=C4)O)Cl IC50 = 213000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BH65DU 5-[3-[4-(3-Hydroxy-2-methoxycarbonylphenoxy)butanoylamino]phenyl]-1,2-oxazole-3-carboxylic acid Investigative 45267846 C22H20N2O8 440.4 COC(=O)C1=C(C=CC=C1OCCCC(=O)NC2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O Ki = 251188.64 nM Non binder T16347 Protein-tyrosine phosphatase 1B BKD6F1 2-{4-[(2S)-2-{[(Tert-butoxy)carbonyl]amino}-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]phenoxy}acetic acid Investigative 23646569 C28H36N2O10 560.6 CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC(=O)O)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O Ki = 218776.16 nM Non binder T16347 Protein-tyrosine phosphatase 1B BKH5E9 2-(4,5-Dibromo-2-(2H-tetrazol-5-yl)thiophen-3-yloxy)acetic acid Investigative 44439129 C7H4Br2N4O3S 384.01 C(C(=O)O)OC1=C(SC(=C1Br)Br)C2=NNN=N2 Ki = 270000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BKV4H5 Tetrasodium;7-hydroxy-8-[(2-hydroxy-4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,3,6-trisulfonate Investigative 136114690 C20H10N2Na4O14S4 722.5 C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C(C(=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] IC50 = 460000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BL63SQ 2-(2-Hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol Investigative 2775086 C13H8F6O2 310.19 C1=CC=C2C(=C1)C=CC(=C2O)C(C(F)(F)F)(C(F)(F)F)O IC50 > 500000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BL6SI0 Disodium;2-fluoro-2-(3-phenylphenoxy)propanedioate Investigative 44340309 C15H9FNa2O5 334.21 C1=CC=C(C=C1)C2=CC(=CC=C2)OC(C(=O)[O-])(C(=O)[O-])F.[Na+].[Na+] IC50 = 250000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BLW8M0 CID 58746703 Investigative 58746703 C29H28N4O7S 576.6 C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)C3=CC(=O)NS3(=O)=O)C(=O)N)NC(=O)CC4=CC=C(C=C4)O IC50 = 790678.63 nM Non binder T16347 Protein-tyrosine phosphatase 1B BM04CP Methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate Investigative 591773 C10H10O5 210.18 CC1=CC(=C(C(=C1C(=O)OC)O)C=O)O IC50 > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BM2JC1 CID 58746466 Investigative 58746466 C30H32N4O6S 576.7 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)CCC4=CC=CC=C4 IC50 = 339625.27 nM Non binder T16347 Protein-tyrosine phosphatase 1B BM3BU6 2-[4-[[(2S)-2-(Acetylamino)-3-[4-(trifluoroacetylamino)phenyl]propionyl]amino]butoxy]-6-hydroxybenzoic acid methyl ester Investigative 44351338 C25H28F3N3O7 539.5 CC(=O)N[C@@H](CC1=CC=C(C=C1)NC(=O)C(F)(F)F)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O Ki > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BM3WO4 2-Thiopheneglyoxylic acid Investigative 77694 C6H4O3S 156.16 C1=CSC(=C1)C(=O)C(=O)O IC50 = 950000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BMCW85 2-Chloro-4'-fluoroacetophenone Investigative 120248 C8H6ClFO 172.58 C1=CC(=CC=C1C(=O)CCl)F Ki = 380000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BN9Q6O Tetrahydroisoquinoline (TIQ) deriv. 9a Investigative 23646398 C15H22N2O6S 358.4 CC(C)(C)OC(=O)N1CC2=C(C[C@H]1CO)C=CC(=C2)NS(=O)(=O)O IC50 > 500000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BNJ0V9 2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-6-phenylphenol Investigative 134148434 C15H10F6O2 336.23 C1=CC=C(C=C1)C2=C(C(=CC=C2)C(C(F)(F)F)(C(F)(F)F)O)O IC50 = 422400 nM Non binder T16347 Protein-tyrosine phosphatase 1B BO9PT0 [7-(Phosphonomethyl)naphthalen-2-yl]methylphosphonic acid Investigative 18957696 C12H14O6P2 316.18 C1=CC(=CC2=C1C=CC(=C2)CP(=O)(O)O)CP(=O)(O)O IC50 > 500000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BOZU92 3-Styrylphenyldifluoromethylphosphonic acid Investigative 15486039 C15H13F2O3P 310.23 C1=CC=C(C=C1)/C=C/C2=CC(=CC=C2)C(F)(F)P(=O)(O)O IC50 = 386000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BP1D3W 2-[4-[[(2S)-2-(Acetylamino)-3-[4-(trifluoromethylsulfonylamino)phenyl]propionyl]amino]butoxy]-6-hydroxybenzoic acid methyl ester Investigative 44351283 C24H28F3N3O8S 575.6 CC(=O)N[C@@H](CC1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O Ki > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BP6JW9 5-[2-Hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-3-carboxylic acid Investigative 136123438 C15H16N2O6 320.3 CC(C)(C)OC(=O)NC1=CC(=C(C=C1)O)C2=CC(=NO2)C(=O)O Ki = 794328.23 nM Non binder T16347 Protein-tyrosine phosphatase 1B BPF1T0 2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-4-phenylphenol Investigative 134138834 C15H10F6O2 336.23 C1=CC=C(C=C1)C2=CC(=C(C=C2)O)C(C(F)(F)F)(C(F)(F)F)O IC50 > 500000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BQ1Z0X 2-Benzamido-3-(6-hydroxynaphthalen-2-yl)propanoic acid Investigative 56675796 C20H17NO4 335.4 C1=CC=C(C=C1)C(=O)NC(CC2=CC3=C(C=C2)C=C(C=C3)O)C(=O)O IC50 > 300000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BQ4X7B 2-{4-[(2S)-2-{[(Tert-butoxy)carbonyl]amino}-2-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}carbamoyl)ethyl]phenoxy}-3-hydroxypropanoic acid Investigative 23646568 C29H38N2O11 590.6 CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC(CO)C(=O)O)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O Ki > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BR50JB 2-(Carboxyformamido)-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid Investigative 44413994 C15H19NO5S 325.4 CC1(CC2=C(C(C1)(C)C)SC(=C2C(=O)O)NC(=O)C(=O)O)C Ki > 300000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BR5D3M 1,3-Dioxo-1H-1lambda*5*-ioda-2,4-dioxa-3lambda*5*-phospha-naphthalene-1,3-diol Investigative 44345295 C6H6IO6P 331.99 C1=CC=C2C(=C1)OP(=O)(OI2(=O)O)O IC50 = 350000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BRM5E6 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenyl]sulfonylacetic acid Investigative 44450234 C24H21N3O6S3 543.6 C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CSN=N3)CC4=CC=C(C=C4)S(=O)(=O)CC(=O)O IC50 = 232000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BS20PD 2-(6-(Benzyloxy)-1-(methoxymethyl)-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid Investigative 44444621 C20H18F3NO5 409.4 COCN1C=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C(C(=O)O)(C(F)(F)F)O IC50 = 382000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BSDV41 Chembl4215472 Investigative 145972554 C22H13ClN2O6 436.8 C1=CC=C(C=C1)C2=C(C(=NO2)C(=O)O)C3=CC=CC(=C3)C4=CC(=C(C(=C4)Cl)O)[N+](=O)[O-] IC50 = 313000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BSI54N 1-Hydroxy-2-naphthoic acid Investigative 6844 C11H8O3 188.18 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O IC50 = 850000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BSWL54 4-Amino-5-phenyl-1,2-oxazole-3-carboxylic acid Investigative 45270471 C10H8N2O3 204.18 C1=CC=C(C=C1)C2=C(C(=NO2)C(=O)O)N Ki = 316227.77 nM Non binder T16347 Protein-tyrosine phosphatase 1B BT3O1A Azane;[(3S)-3-(methylcarbamoyl)-2-(4-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Investigative 49797132 C21H28N4O5S 448.5 CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCCC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O.N IC50 = 271200 nM Non binder T16347 Protein-tyrosine phosphatase 1B BV54NY 3-Phenylsalicylic acid Investigative 9348 C13H10O3 214.22 C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)O)O IC50 = 859000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BV7WA0 Azane;[(3S)-3-(methylcarbamoyl)-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Investigative 49797137 C25H35N5O7S 549.6 CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CC3=C(C[C@H]2C(=O)NC)C=CC(=C3)NS(=O)(=O)O.N IC50 > 500000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BV94FC 5-[3-[(Pentylamino)methyl]phenyl]-1,2-oxazole-3-carboxylic acid Investigative 45272190 C16H20N2O3 288.34 CCCCCNCC1=CC(=CC=C1)C2=CC(=NO2)C(=O)O Ki = 501187.23 nM Non binder T16347 Protein-tyrosine phosphatase 1B BW2J9N 2-{4-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-propionylamino]-3-carboxy-propionylamino}-4-carboxy-butyrylamino)-2-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethyl]-phenyl}-2-fluoro-malonic acid Investigative 12968372 C36H48FN7O17 869.8 C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)C(C(=O)O)(C(=O)O)F)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)C IC50 = 430000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BW57NH 2-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]-2-methoxyphenoxy]-2,2-difluoroacetic acid Investigative 44450317 C25H21F2N3O6S2 561.6 COC1=C(C=CC(=C1)CN(CC2=CC=C(C=C2)C3=CSN=N3)S(=O)(=O)C4=CC=CC=C4)OC(C(=O)O)(F)F IC50 = 237000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BW9QH4 1-(Tert-Butylperoxy)-1,2-benziodoxol-3(1H)-one Investigative 11045948 C11H13IO4 336.12 CC(C)(C)OOI1C2=CC=CC=C2C(=O)O1 IC50 = 230000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BWKS27 2,2-Difluoro-2-(naphthalen-2-yl)acetic acid Investigative 12585551 C12H8F2O2 222.19 C1=CC=C2C=C(C=CC2=C1)C(C(=O)O)(F)F IC50 = 640000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BX38BE (E)-4-(4-(Hydroxymethyl)styryl)benzene-1,2-diol Investigative 44432618 C15H14O3 242.27 C1=CC(=CC=C1CO)/C=C/C2=CC(=C(C=C2)O)O IC50 = 260000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BXD4L1 1-Phenyl-3-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl)-propan-2-ol Investigative 44303638 C23H34O 326.5 CC1=CC[C@@H]2[C@@]([C@H]1CC(CC3=CC=CC=C3)O)(CCCC2(C)C)C IC50 > 310000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BXE4U1 Methyl 2,4-dihydroxy-6-methylbenzoate Investigative 76658 C9H10O4 182.17 CC1=CC(=CC(=C1C(=O)OC)O)O IC50 > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BXEI69 Disodium;2-fluoro-2-naphthalen-2-yloxypropanedioate Investigative 44340082 C13H7FNa2O5 308.17 C1=CC=C2C=C(C=CC2=C1)OC(C(=O)[O-])(C(=O)[O-])F.[Na+].[Na+] IC50 = 320000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BY0P3V 2-(N-[4-[[Benzenesulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenyl]anilino)-2-oxoacetic acid Investigative 44450362 C30H24N4O5S2 584.7 C1=CC=C(C=C1)N(C2=CC=C(C=C2)CN(CC3=CC=C(C=C3)C4=CSN=N4)S(=O)(=O)C5=CC=CC=C5)C(=O)C(=O)O IC50 = 235000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BY7N2Q 1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-ol Investigative 69748 C9H6F6O 244.13 C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O IC50 > 500000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BYFU95 2-[4-[[(2S)-2-(Acetylamino)-3-[4-(hydroxyacetylamino)phenyl]propionyl]amino]butoxy]-6-hydroxybenzoic acid methyl ester Investigative 44351411 C25H31N3O8 501.5 CC(=O)N[C@@H](CC1=CC=C(C=C1)NC(=O)CO)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O Ki > 200000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BYV40U (S)-4-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-propionylamino]-3-carboxy-propionylamino}-4-[(S)-2-(3,4-bis-carboxymethoxy-phenyl)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-butyric acid Investigative 15384193 C37H51N7O19 897.8 C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC(=C(C=C1)OCC(=O)O)OCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)C IC50 = 800000 nM Non binder T16347 Protein-tyrosine phosphatase 1B BZW06U 2-[3-[[[4-(Carboxymethoxy)phenyl]sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]methyl]phenoxy]-2,2-difluoroacetic acid Investigative 44450294 C26H21F2N3O8S2 605.6 C1=CC(=CC(=C1)OC(C(=O)O)(F)F)CN(CC2=CC=C(C=C2)C3=CSN=N3)S(=O)(=O)C4=CC=C(C=C4)OCC(=O)O IC50 = 230000 nM Non binder T16347 Protein-tyrosine phosphatase 1B D00DDO 3-Bromo-5-phenylsalicylc acid Investigative 268734 C13H9BrO3 293.11 C1=CC=C(C=C1)C2=CC(=C(C(=C2)Br)O)C(=O)O IC50 = 351000 nM Non binder T16347 Protein-tyrosine phosphatase 1B D01VNN NSC-622444 Investigative 360384 C15H10Cl2O6 357.1 C1=C(C=C(C(=C1C(=O)O)O)Cl)CC2=CC(=C(C(=C2)Cl)O)C(=O)O IC50 = 242000 nM Non binder T16347 Protein-tyrosine phosphatase 1B D02SGJ PALMATINE Investigative 19009 C21H22NO4+ 352.4 COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC IC50 = 234000 nM Non binder T16347 Protein-tyrosine phosphatase 1B D04BYU pamoic acid Investigative 8546 C23H16O6 388.4 C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O IC50 = 310000 nM Non binder T16347 Protein-tyrosine phosphatase 1B D0G4GB omega-chloroacetophenone Investigative 10757 C8H7ClO 154.59 C1=CC=C(C=C1)C(=O)CCl Ki = 480000 nM Non binder T16347 Protein-tyrosine phosphatase 1B D0U2WU 3-Iodyl-benzoic acid Investigative 3549290 C7H5IO4 280.02 C1=CC(=CC(=C1)I(=O)=O)C(=O)O IC50 = 890000 nM Non binder