TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T86702 Matrix metalloproteinase-3 D0G1LL 1607004-34-1 Patented 74221072 C20H22F3N3O3 409.4 C1CC1[C@H](CC2=CC=C(C=C2)C(F)(F)F)C(=O)NC[C@@]3(C(=O)NC(=O)N3)C4CC4 IC50 = 99710 nM Poor binder T86702 Matrix metalloproteinase-3 D0N6ZA US9206139, 4 Patented 74221131 C20H24F3N3O3 411.4 CC(C)[C@H](CC1=CC=C(C=C1)C(F)(F)F)C(=O)NC[C@@]2(C(=O)NC(=O)N2)C3CC3 IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B03XNO (4S)-5-[3-(Carboxymethyl)piperidin-1-yl]-5-oxo-4-[3-(4-thiophen-2-ylphenyl)propanoylamino]pentanoic acid Investigative 50991513 C25H30N2O6S 486.6 C1CC(CN(C1)C(=O)[C@H](CCC(=O)O)NC(=O)CCC2=CC=C(C=C2)C3=CC=CS3)CC(=O)O Ki ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B09XSF Hydroxamate deriv., 78 Investigative 24799779 C23H23N3O4 405.4 CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)N Ki = 58000 nM Poor binder T86702 Matrix metalloproteinase-3 B0DQ4U (2S)-2-[[(2S)-2-[[(2R)-2-Aminopropanoyl]amino]-3-phenylpropanoyl]amino]-4-methyl-N-phenylpentanamide Investigative 44356805 C24H32N4O3 424.5 C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)NC2=CC=CC=C2)N IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B0IWY1 Isoacteoside Investigative 6476333 C29H36O15 624.6 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O IC50 = 91410 nM Poor binder T86702 Matrix metalloproteinase-3 B0J4RS (R)-2-(N-Isopropoxybiphenyl-4-ylsulfonamido)-3-methylbutanoic acid Investigative 45482676 C20H25NO5S 391.5 CC(C)[C@H](C(=O)O)N(OC(C)C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2 IC50 = 54000 nM Poor binder T86702 Matrix metalloproteinase-3 B0MUP5 2-(4-Chlorophenoxy)-N-{[(4r)-4-Methyl-2,5-Dioxoimidazolidin-4-Yl]methyl}acetamide Investigative 86287514 C13H14ClN3O4 311.72 C[C@]1(C(=O)NC(=O)N1)CNC(=O)COC2=CC=C(C=C2)Cl IC50 = 50000 nM Poor binder T86702 Matrix metalloproteinase-3 B0QR5V 3-(Hydroxymethyl)-6-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethynyl]benzoic acid Investigative 122179777 C22H16O5 360.4 C1=CC(=CC=C1C#CC2=C(C=CC(=C2C(=O)O)C3=CC=C(C=C3)O)CO)O IC50 = 82560 nM Poor binder T86702 Matrix metalloproteinase-3 B12CRJ N-[(2S)-1-(Dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide Investigative 22096205 C16H31N3O4 329.43 CCCCC(CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B1B7TI Chembl4208066 Investigative 145976464 C31H22O5 474.5 C1=CC(=CC=C1C2=CC(=CC(=C2C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)C(=O)C5=CC=C(C=C5)O)O IC50 = 66120 nM Poor binder T86702 Matrix metalloproteinase-3 B1YM9Q (Methylamino)carbonylphosphonic acid Investigative 11457732 C2H6NO4P 139.05 CNC(=O)P(=O)(O)O IC50 = 90000 nM Poor binder T86702 Matrix metalloproteinase-3 B1ZH3O 1-[2-[4-(4-Cyanophenyl)phenoxy]ethyl]-1-hydroxyurea Investigative 44286406 C16H15N3O3 297.31 C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCN(C(=O)N)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B25XRZ Cyclohexanamine;3-methylbutylcarbamoylphosphonic acid Investigative 9817594 C12H27N2O4P 294.33 CC(C)CCNC(=O)P(=O)(O)O.C1CCC(CC1)N IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B26QZF 1-(4-Methoxy-phenyl)-3-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-urea Investigative 10636628 C10H10N4O2S2 282.3 COC1=CC=C(C=C1)NC(=O)NC2=NNC(=S)S2 Ki = 69000 nM Poor binder T86702 Matrix metalloproteinase-3 B2K1NI (3R)-6-Cyclohexyl-3-[3-(2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide Investigative 135487604 C18H25N5O5 391.4 C1CCC(CC1)CCC[C@H](CC(=O)NO)C2=NC(=NO2)C3=CNC(=O)NC3=O IC50 = 78000 nM Poor binder T86702 Matrix metalloproteinase-3 B3T2HA Chembl4215193 Investigative 145972073 C35H41FN2O5S 620.8 CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NC5=CC=CC=C5F)C)S(=O)(=O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B41JRW Berkchaetoazaphilone A Investigative 127028674 C25H34O6 430.5 CCCCCCCCCC(=O)[C@H]1[C@@H]2C3=COC(=CC3=CC(=O)[C@@]2(OC1=O)C)C[C@H](C)O IC50 = 130000 nM Poor binder T86702 Matrix metalloproteinase-3 B46JHV Chembl4206592 Investigative 46873064 C27H20O6 440.4 C1=CC(=CC=C1C2=C3C(=C(C=C2)CO)C(=O)OC3(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)O IC50 = 87770 nM Poor binder T86702 Matrix metalloproteinase-3 B52VLK N-[1-(Phenoxymethyl)-2-(4'-cyano-4-biphenylyloxy)ethyl]formhydroxamic acid Investigative 21700204 C23H20N2O4 388.4 C1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N(C=O)O IC50 = 130000 nM Poor binder T86702 Matrix metalloproteinase-3 B5AB4X (Propylamino)carbonylphosphonic acid Investigative 11400989 C4H10NO4P 167.1 CCCNC(=O)P(=O)(O)O IC50 = 50000 nM Poor binder T86702 Matrix metalloproteinase-3 B69FKU Chembl4208646 Investigative 46840956 C31H22O10 554.5 COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O IC50 = 74340 nM Poor binder T86702 Matrix metalloproteinase-3 B6HBX9 (3R)-6-Cyclohexyl-N-hydroxy-3-(3-{[(phenylsulfonyl)amino]carbonyl}-1,2,4-oxadiazol-5-yl)hexanamide Investigative 9890632 C21H28N4O6S 464.5 C1CCC(CC1)CCC[C@H](CC(=O)NO)C2=NC(=NO2)C(=O)NS(=O)(=O)C3=CC=CC=C3 IC50 = 76000 nM Poor binder T86702 Matrix metalloproteinase-3 B6IN8S Sodium hydrogen (butylamino)carbonylphosphonate Investigative 23692637 C5H11NNaO4P 203.11 CCCCNC(=O)P(=O)(O)[O-].[Na+] IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B6L5WX Berkeleylactone A Investigative 132967549 C19H32O7S 404.5 C[C@@H]1CCCCCCCCC[C@@H](C(=O)C[C@H](C(=O)O1)SC[C@H](C(=O)O)O)O IC50 = 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B6O4DQ (E)-N-Hydroxy-3-[4-(trifluoromethyl)phenyl]acrylamide Investigative 53374826 C10H8F3NO2 231.17 C1=CC(=CC=C1/C=C/C(=O)NO)C(F)(F)F IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B6QZN9 Chembl4214716 Investigative 145971807 C50H52Cl2F2N4O5S 929.9 CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)NC5=CC(=C(C=C5)F)Cl)C)S(=O)(=O)N[C@H](CC6=CC=CC=C6)C(=O)NC7=CC(=C(C=C7)F)Cl IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B6W3HR Chembl4202989 Investigative 145978450 C35H41BrN2O5S 681.7 CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NC5=CC=CC=C5Br)C)S(=O)(=O)O IC50 = 58300 nM Poor binder T86702 Matrix metalloproteinase-3 B6WC8Y N-[1-[4-(4-Cyanophenyl)phenoxy]-3-(4-fluorophenyl)propan-2-yl]-N-hydroxyformamide Investigative 21699983 C23H19FN2O3 390.4 C1=CC(=CC=C1CC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N(C=O)O)F IC50 = 180000 nM Poor binder T86702 Matrix metalloproteinase-3 B6YT2H (S)-2-((E)-3-Furan-2-yl-acryloylamino)-3-(1H-indol-3-yl)-propionic acid Investigative 40424573 C18H16N2O4 324.3 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)/C=C/C3=CC=CO3 Ki = 120000 nM Poor binder T86702 Matrix metalloproteinase-3 B71YOW N-[1-(4'-Cyano-4-biphenylyloxymethyl)-3-methylbutyl]formhydroxamic acid Investigative 21700004 C20H22N2O3 338.4 CC(C)CC(COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)N(C=O)O IC50 = 120000 nM Poor binder T86702 Matrix metalloproteinase-3 B7PA0B 5-(2-Chloro-6-methyl-phenylamino)-3H-[1,3,4]thiadiazole-2-thione Investigative 44285343 C9H8ClN3S2 257.8 CC1=C(C(=CC=C1)Cl)NC2=NNC(=S)S2 IC50 = 173000 nM Poor binder T86702 Matrix metalloproteinase-3 B87SHX N-[[(4S)-4-(1-Methylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide Investigative 101910871 C18H14F3N5O4 421.3 CN1C=CN=C1[C@]2(C(=O)NC(=O)N2)CNC(=O)C3=CC4=C(O3)C=CC(=C4)C(F)(F)F IC50 = 69000 nM Poor binder T86702 Matrix metalloproteinase-3 B8DC0N Cyclooctylcarbamoylphosphonic Acid Investigative 11817193 C9H18NO4P 235.22 C1CCCC(CCC1)NC(=O)P(=O)(O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B8DY7G (R)-2-(4-Fluoro-3,5-dimethylphenylamino)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide Investigative 24871537 C21H27F2N3O2 391.5 CC1=CC(=CC(=C1F)C)N[C@H](CCCCNCC2=CC=C(C=C2)F)C(=O)NO Ki ~ 50000 nM Poor binder T86702 Matrix metalloproteinase-3 B8JE1T 3-(4-(2-Oxo-2H-chromen-3-yl)-2-thioxo-2,3-dihydro-1H-imidazol-1-yl)benzoic acid Investigative 4085085 C19H12N2O4S 364.4 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=S)N3)C4=CC=CC(=C4)C(=O)O IC50 = 110000 nM Poor binder T86702 Matrix metalloproteinase-3 B8KJ7I (S)-2-(4-Fluoro-3,5-dimethylbenzyl)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide Investigative 24871655 C22H28F2N2O2 390.5 CC1=CC(=CC(=C1F)C)C[C@H](CCCCNCC2=CC=C(C=C2)F)C(=O)NO Ki ~ 50000 nM Poor binder T86702 Matrix metalloproteinase-3 B8QGP0 (5Z)-2-(1,2-Benzothiazol-3-ylimino)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one Investigative 136036769 C17H10N4O3S2 382.4 C1=CC=C2C(=C1)C(=NS2)N=C3NC(=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/S3 IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 B8TI3E Boc-Trp-OSu Investigative 98767 C20H23N3O6 401.4 CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)ON3C(=O)CCC3=O Ki = 84000 nM Poor binder T86702 Matrix metalloproteinase-3 B96EBG Carbobenzoxyphenylalanine Investigative 70878 C17H17NO4 299.32 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2 Ki = 83000 nM Poor binder T86702 Matrix metalloproteinase-3 B9KGM5 5-Chloro-N-[[(4S)-4-(2-methylpyrazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-1-benzofuran-2-carboxamide Investigative 118722688 C17H14ClN5O4 387.8 CN1C(=CC=N1)[C@]2(C(=O)NC(=O)N2)CNC(=O)C3=CC4=C(O3)C=CC(=C4)Cl IC50 = 64000 nM Poor binder T86702 Matrix metalloproteinase-3 B9MR1L (R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamoyl)-nonadecanoic acid Investigative 10394828 C30H50N2O4 502.7 CCCCCCCCCCCCCCCC[C@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC IC50 = 50000 nM Poor binder T86702 Matrix metalloproteinase-3 BA8T1M (2R)-2-(4-Fluoro-3,5-dimethylphenoxy)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide Investigative 70693710 C23H30F2N2O3 420.5 CCC(C1=CC=C(C=C1)F)NCCCC[C@H](C(=O)NO)OC2=CC(=C(C(=C2)C)F)C Ki ~ 50000 nM Poor binder T86702 Matrix metalloproteinase-3 BAN7Z4 (Cycloheptylamino)carbonylphosphonic acid Investigative 11447356 C8H16NO4P 221.19 C1CCCC(CC1)NC(=O)P(=O)(O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BBF3R4 (Cyclopropylamino)carbonylphosphonic acid Investigative 11252195 C4H8NO4P 165.08 C1CC1NC(=O)P(=O)(O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BC6DG0 (2S)-2-[(4-Fluoro-3,5-dimethylphenyl)methyl]-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide Investigative 57345501 C24H32F2N2O2 418.5 CCC(C1=CC=C(C=C1)F)NCCCC[C@@H](CC2=CC(=C(C(=C2)C)F)C)C(=O)NO Ki ~ 50000 nM Poor binder T86702 Matrix metalloproteinase-3 BC74NY 2-[2-[(E)-(5-Oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetic acid Investigative 703233 C12H10N2O4S 278.29 C1=CC=C(C(=C1)/C=C/2\\C(=O)NC(=S)N2)OCC(=O)O IC50 = 77000 nM Poor binder T86702 Matrix metalloproteinase-3 BD36TG Chembl4203061 Investigative 145977013 C50H54F2N4O5S 861 CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F)C)S(=O)(=O)N[C@H](CC6=CC=CC=C6)C(=O)NC7=CC=C(C=C7)F IC50 = 59700 nM Poor binder T86702 Matrix metalloproteinase-3 BD57BI Chembl4211700 Investigative 145963891 C36H44N2O6S 632.8 CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)NC5=CC=CC=C5OC)C)S(=O)(=O)O IC50 = 52800 nM Poor binder T86702 Matrix metalloproteinase-3 BD85MN (5Z)-5-[4-(Benzyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one Investigative 1204907 C17H13NO2S2 327.4 C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C\\3/C(=O)NC(=S)S3 IC50 = 77430 nM Poor binder T86702 Matrix metalloproteinase-3 BDX1T5 (S)-2-Tert-Butoxycarbonylamino-3-[1-(2,4,6-trimethyl-benzenesulfonyl)-1H-indol-3-yl]-propionic acid Investigative 13875965 C25H30N2O6S 486.6 CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=C(C3=CC=CC=C32)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C Ki = 52000 nM Poor binder T86702 Matrix metalloproteinase-3 BE06IA Chembl4282646 Investigative 132967554 C16H28O5 300.39 C[C@@H]1[C@H](CCCCCCCC[C@@H]([C@@H](/C=C/C(=O)O1)O)O)O IC50 = 150000 nM Poor binder T86702 Matrix metalloproteinase-3 BEUF79 (2R)-N-Hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide Investigative 10541018 C13H21N2O3P 284.29 CC(C)C[C@H](C(=O)NO)N[P@](=O)(C)C1=CC=CC=C1 IC50 = 130500 nM Poor binder T86702 Matrix metalloproteinase-3 BF6ZI1 N-Hydroxy-2-[4-(4-methanesulfinyl-phenoxy)-benzenesulfonyl]-benzamide Investigative 44479458 C20H17NO6S2 431.5 CS(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3C(=O)NO IC50 = 60000 nM Poor binder T86702 Matrix metalloproteinase-3 BFQS36 (5Z)-2-(1,2-Benzothiazol-3-ylimino)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one Investigative 136036768 C17H10ClN3OS2 371.9 C1=CC=C2C(=C1)C(=NS2)N=C3NC(=O)/C(=C/C4=CC=C(C=C4)Cl)/S3 IC50 = 65000 nM Poor binder T86702 Matrix metalloproteinase-3 BG7P3F Cyclohexanamine;2-methylpropylcarbamoylphosphonic acid Investigative 9882151 C11H25N2O4P 280.3 CC(C)CNC(=O)P(=O)(O)O.C1CCC(CC1)N IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BG91IE 5-Dodecylamino-3H-[1,3,4]thiadiazole-2-thione Investigative 44285686 C14H27N3S2 301.5 CCCCCCCCCCCCNC1=NNC(=S)S1 IC50 = 97000 nM Poor binder T86702 Matrix metalloproteinase-3 BGN3P0 2-(2-(4-Methoxyphenylsulfonyl)phenyl)acetic Acid Investigative 44479700 C15H14O5S 306.3 COC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2CC(=O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BGY1M0 1-[2-[4-(4-Cyanophenyl)phenoxy]ethyl]-3-hydroxyurea Investigative 44286483 C16H15N3O3 297.31 C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCNC(=O)NO IC50 = 80000 nM Poor binder T86702 Matrix metalloproteinase-3 BHK6A7 (2R)-2-Amino-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide Investigative 44356667 C21H34N4O3 390.5 CC(C)C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)N IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BIT3C5 (4S)-5-[[(2S)-1-Amino-4-methyl-1-oxopentan-2-yl]amino]-5-oxo-4-[3-(4-phenylphenyl)propanoylamino]pentanoic acid Investigative 50992325 C26H33N3O5 467.6 CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC1=CC=C(C=C1)C2=CC=CC=C2 Ki ~ 50000 nM Poor binder T86702 Matrix metalloproteinase-3 BJ6W4D 4-(4-Methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide Investigative 3649035 C18H22N2O3S 346.4 COC1=CC=C(C=C1)C2=CSC(=C2)C(=O)NCCN3CCOCC3 IC50 ~ 101000 nM Poor binder T86702 Matrix metalloproteinase-3 BJI49R Chembl4202455 Investigative 145977231 C35H41FN2O5S 620.8 CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)NC5=CC=CC=C5F)C)S(=O)(=O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BJK4U1 Chembl4202528 Investigative 145976230 C50H54Br2N4O5S 982.9 CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)Br)C)S(=O)(=O)N[C@H](CC6=CC=CC=C6)C(=O)NC7=CC(=CC=C7)Br IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BJWP32 1-Phenyl-3-(5-sulfanyl-1,3,4-thiadiazol-2-yl)urea Investigative 10658473 C9H8N4OS2 252.3 C1=CC=C(C=C1)NC(=O)NC2=NNC(=S)S2 IC50 = 99000 nM Poor binder T86702 Matrix metalloproteinase-3 BK12BZ (5E)-2-(1,2-Benzothiazol-3-ylimino)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one Investigative 136814721 C17H11N3O2S2 353.4 C1=CC=C2C(=C1)C(=NS2)N=C3NC(=O)/C(=C\\C4=CC(=CC=C4)O)/S3 IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BK16HW (Sec-butylamino)carbonylphosphonic acid Investigative 11286824 C5H12NO4P 181.13 CCC(C)NC(=O)P(=O)(O)O IC50 = 80000 nM Poor binder T86702 Matrix metalloproteinase-3 BK5G4F (5E)-2-(1,2-Benzothiazol-3-ylimino)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one Investigative 136814723 C17H11N3O2S2 353.4 C1=CC=C(C(=C1)/C=C/2\\C(=O)NC(=NC3=NSC4=CC=CC=C43)S2)O IC50 = 97350 nM Poor binder T86702 Matrix metalloproteinase-3 BKM8G4 2-[(4'-Fluorobiphenyl-4-yl)sulfonyl]benzeneacetic acid Investigative 71602248 C20H15FO4S 370.4 C1=CC=C(C(=C1)CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F IC50 = 67000 nM Poor binder T86702 Matrix metalloproteinase-3 BLF1I4 Chembl4207344 Investigative 145975699 C36H44N2O6S 632.8 CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NC5=CC=CC=C5OC)C)S(=O)(=O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BMC9X6 4-{(5Z)-2,4-Dioxo-5-[(2E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl}butanoic acid Investigative 1348435 C16H15NO4S 317.4 C1=CC=C(C=C1)/C=C/C=C\\2/C(=O)N(C(=O)S2)CCCC(=O)O IC50 = 110000 nM Poor binder T86702 Matrix metalloproteinase-3 BNJ04P 5-(Phenylamino)-1,3,4-thiadiazole-2(3H)-thione Investigative 707055 C8H7N3S2 209.3 C1=CC=C(C=C1)NC2=NNC(=S)S2 IC50 = 190000 nM Poor binder T86702 Matrix metalloproteinase-3 BO9J4I (2S)-2-[[(2R)-2-Amino-3-methylbutanoyl]amino]-N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide Investigative 44356789 C27H38N4O3 466.6 CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)N IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BOL2C9 N-Methyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-ureido]-acetamide Investigative 10610500 C6H9N5O2S2 247.3 CNC(=O)CNC(=O)NC1=NNC(=S)S1 Ki = 165958.69 nM Poor binder T86702 Matrix metalloproteinase-3 BP50JB Antibiotic A 26771B Investigative 11143436 C20H30O7 382.4 C[C@@H]1CCCCCCCCC[C@@H](C(=O)/C=C/C(=O)O1)OC(=O)CCC(=O)O IC50 = 50000 nM Poor binder T86702 Matrix metalloproteinase-3 BP6ED9 (5Z)-2-(1,2-Benzothiazol-3-ylimino)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one Investigative 136036777 C17H10N4O3S2 382.4 C1=CC=C2C(=C1)C(=NS2)N=C3NC(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/S3 IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BP6NW4 (Cyclobutylamino)carbonylphosphonic acid Investigative 11194666 C5H10NO4P 179.11 C1CC(C1)NC(=O)P(=O)(O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BQ07HA (2s)-6-[(4-Fluorobenzyl)amino]-2-[(2r)-2-(4-Fluorophenyl)-2-Methoxyethyl]-N-Hydroxyhexanamide Investigative 54582019 C22H28F2N2O3 406.5 CO[C@H](C[C@H](CCCCNCC1=CC=C(C=C1)F)C(=O)NO)C2=CC=C(C=C2)F Ki ~ 50000 nM Poor binder T86702 Matrix metalloproteinase-3 BQ9P2T 5-(Benzylamino)-1,3,4-thiadiazole-2-thiol Investigative 830422 C9H9N3S2 223.3 C1=CC=C(C=C1)CNC2=NNC(=S)S2 IC50 = 97000 nM Poor binder T86702 Matrix metalloproteinase-3 BQK86U 1-(4-Chloro-2-methyl-phenyl)-3-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-urea Investigative 44285342 C10H9ClN4OS2 300.8 CC1=C(C=CC(=C1)Cl)NC(=O)NC2=NNC(=S)S2 Ki = 119000 nM Poor binder T86702 Matrix metalloproteinase-3 BQRJ21 (2S,4R)-4-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-2-methyl-6-phenyl-hexanoic acid Investigative 44294877 C25H32N2O5 440.5 C[C@@H](C[C@@H](CCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)NC)C(=O)O IC50 = 55000 nM Poor binder T86702 Matrix metalloproteinase-3 BRD5Z7 (2r,3r)-4-[4-(2-Chlorophenyl)piperazin-1-Yl]-2,3-Dihydroxy-4-Oxo-N-(2-Thiophen-2-Ylethyl)butanamide Investigative 11640694 C20H24ClN3O4S 437.9 C1CN(CCN1C2=CC=CC=C2Cl)C(=O)[C@@H]([C@H](C(=O)NCCC3=CC=CS3)O)O Ki ~ 50000 nM Poor binder T86702 Matrix metalloproteinase-3 BS2M5I (5Z)-2-(1,2-Benzothiazol-3-ylimino)-5-benzylidene-1,3-thiazolidin-4-one Investigative 136036787 C17H11N3OS2 337.4 C1=CC=C(C=C1)/C=C\\2/C(=O)NC(=NC3=NSC4=CC=CC=C43)S2 IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BS4KA8 Chembl4206956 Investigative 145975682 C33H24O4 484.5 C1=CC=C(C=C1)/C(=C\\C(=O)C2=CC=C(C=C2)O)/C3=C(C=CC=C3C4=CC=C(C=C4)O)C5=CC=C(C=C5)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BSK02N 2-(5-(4-(Benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid Investigative 1383990 C19H15NO4S2 385.5 C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C\\3/C(=O)N(C(=S)S3)CC(=O)O IC50 = 58500 nM Poor binder T86702 Matrix metalloproteinase-3 BSP3A8 Schembl22225166 Investigative 17853548 C17H20O9 368.3 COC(=O)C1(CC(C(C(C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O IC50 = 58810 nM Poor binder T86702 Matrix metalloproteinase-3 BSRZ86 Cyclopentylcarbamoylphosphonic Acid Investigative 10198038 C6H12NO4P 193.14 C1CCC(C1)NC(=O)P(=O)(O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BT16SP Benzyl 6-Benzyl-5,7-Dioxo-6,7-Dihydro-5h-[1,3]thiazolo[3,2-C]pyrimidine-2-Carboxylate Investigative 9896504 C21H16N2O4S 392.4 C1=CC=C(C=C1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCC4=CC=CC=C4 IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BT17QX Lithium ethyl (cyclohexylamino)carbonylphosphonate Investigative 53322469 C9H17LiNO4P 241.2 [Li+].CCOP(=O)(C(=O)NC1CCCCC1)[O-] IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BTE3R6 (2E)-3-(N-Hydroxycarbamoyl)-2-heptylidenepropionyl-L-tryptophan-N-methylamide Investigative 44434565 C23H32N4O4 428.5 CCCCCC/C=C(\\CC(=O)NO)/C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BU72GZ N-[(3S,4S)-1-(6-Aminohexanoyl)-4-hydroxypyrrolidin-3-yl]-4-phenoxybenzenesulfonamide;hydrochloride Investigative 71680867 C22H30ClN3O5S 484 C1[C@@H]([C@H](CN1C(=O)CCCCCN)O)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3.Cl Ki ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BV0CJ9 4-Phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide Investigative 71682916 C17H19NO3S2 349.5 C1C[C@H]([C@@H](C1)S)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3 Ki = 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BVAB51 Chembl4214656 Investigative 145972990 C35H41BrN2O5S 681.7 CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)NC5=CC=CC=C5Br)C)S(=O)(=O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BVQ1A0 Z-D-Trp-OH Investigative 700663 C19H18N2O4 338.4 C1=CC=C(C=C1)COC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)O Ki = 71000 nM Poor binder T86702 Matrix metalloproteinase-3 BVZ90P (Isopropylamino)carbonylphosphonic acid Investigative 11147931 C4H10NO4P 167.1 CC(C)NC(=O)P(=O)(O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BW31OG (Ethylamino)carbonylphosphonic acid Investigative 11205873 C3H8NO4P 153.07 CCNC(=O)P(=O)(O)O IC50 = 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BW35RO (2R)-2-(4-Fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide Investigative 57345500 C23H31F2N3O2 419.5 CCC(C1=CC=C(C=C1)F)NCCCC[C@H](C(=O)NO)NC2=CC(=C(C(=C2)C)F)C Ki ~ 50000 nM Poor binder T86702 Matrix metalloproteinase-3 BX1NG5 Phenethylcarbamoylphosphonic Acid Investigative 9794947 C9H12NO4P 229.17 C1=CC=C(C=C1)CCNC(=O)P(=O)(O)O IC50 = 90000 nM Poor binder T86702 Matrix metalloproteinase-3 BX35SB Chembl4207416 Investigative 145978615 C50H54F2N4O5S 861 CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)F)C)S(=O)(=O)N[C@H](CC6=CC=CC=C6)C(=O)NC7=CC(=CC=C7)F IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BX78KQ (R)-2-(4-Fluoro-3,5-dimethylphenoxy)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide Investigative 54580973 C21H26F2N2O3 392.4 CC1=CC(=CC(=C1F)C)O[C@H](CCCCNCC2=CC=C(C=C2)F)C(=O)NO Ki ~ 50000 nM Poor binder T86702 Matrix metalloproteinase-3 BX9N5F [3-(5-Thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-ureido]-acetic acid ethyl ester Investigative 44285516 C7H10N4O3S2 262.3 CCOC(=O)CNC(=O)NC1=NNC(=S)S1 Ki = 85000 nM Poor binder T86702 Matrix metalloproteinase-3 BXW5Y2 Pentan-3-ylcarbamoylphosphonic Acid Investigative 11367571 C6H14NO4P 195.15 CCC(CC)NC(=O)P(=O)(O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BY0QU5 (3R)-6-Cyclohexyl-N-hydroxy-3-(3-{[(methylsulfonyl)amino]-methyl}-1,2,4-oxadiazol-5-yl)hexanamide Investigative 10271604 C16H28N4O5S 388.5 CS(=O)(=O)NCC1=NOC(=N1)[C@H](CCCC2CCCCC2)CC(=O)NO IC50 = 91000 nM Poor binder T86702 Matrix metalloproteinase-3 BY8QH0 Piperidin-1-ylcarbonylphosphonic acid Investigative 44328155 C6H12NO4P 193.14 C1CCN(CC1)C(=O)P(=O)(O)O IC50 = 90000 nM Poor binder T86702 Matrix metalloproteinase-3 BYSM39 (+/-)-2-[2-(Biphenyl-4-sulfonyl)phenyl]propionic Acid Investigative 44479702 C21H18O4S 366.4 CC(C1=CC=CC=C1S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 BZSF06 N-{2-[(4'-Cyano-1,1'-biphenyl-4-YL)oxy]ethyl}-N'-hydroxy-N-methylurea Investigative 5326979 C17H17N3O3 311.33 CN(CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)C(=O)NO IC50 = 200000 nM Poor binder T86702 Matrix metalloproteinase-3 D01BCK N-hydroxy-1-naphthamide Investigative 23382 C11H9NO2 187.19 C1=CC=C2C(=C1)C=CC=C2C(=O)NO IC50 = 50000 nM Poor binder T86702 Matrix metalloproteinase-3 D04GOO N1,N3-bis(3-methoxybenzyl)isophthalamide Investigative 10111838 C24H24N2O4 404.5 COC1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)C(=O)NCC3=CC(=CC=C3)OC IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 D07MJD [2-(Biphenyl-4-sulfonyl)phenyl]acetic Acid Investigative 44479701 C20H16O4S 352.4 C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3CC(=O)O IC50 = 74000 nM Poor binder T86702 Matrix metalloproteinase-3 D0A0FY N-Hydroxy-2-(4-methoxy-benzenesulfonyl)benzamide Investigative 44479457 C14H13NO5S 307.32 COC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2C(=O)NO IC50 ~ 50000 nM Poor binder T86702 Matrix metalloproteinase-3 D0G3YZ (+/-)5-(biphenyl-4-yl)-3-hydroxypentanoic acid Investigative 11391583 C17H18O3 270.32 C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC(=O)O)O IC50 ~ 98000 nM Poor binder T86702 Matrix metalloproteinase-3 D0N8YA Bb-3497 Investigative 159596 C16H31N3O4 329.43 CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C IC50 ~ 100000 nM Poor binder T86702 Matrix metalloproteinase-3 D0T1FR Cis-2-aminocyclohexylcarbamoylphosphonic acid Investigative 44457233 C7H15N2O4P 222.18 C1CC[C@H]([C@H](C1)N)NC(=O)P(=O)(O)O IC50 ~ 100000 nM Poor binder