Compile Data Set for Download or QSAR
Found 88 Enz. Inhib. hit(s) with all data for entry = 50035149
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103161(3-Furan-2-yl-N-hydroxy-2-[(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cc(C)cc1-c1ccco1)C(=O)NO
Show InChI InChI=1S/C25H23N3O6S/c1-17-13-21(23-6-4-12-34-23)24(22(14-17)25(29)27-30)28(16-18-5-3-11-26-15-18)35(31,32)20-9-7-19(33-2)8-10-20/h3-15,30H,16H2,1-2H3,(H,27,29)
Affinity DataIC50: 1nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103162(CHEMBL68542 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1ccc2ccccc2c1
Show InChI InChI=1S/C31H27N3O5S/c1-21-16-26(25-10-9-23-7-3-4-8-24(23)17-25)18-29(31(35)33-36)30(21)34(20-22-6-5-15-32-19-22)40(37,38)28-13-11-27(39-2)12-14-28/h3-19,36H,20H2,1-2H3,(H,33,35)
Affinity DataIC50: 1nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103171(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N3O5S/c1-18-13-21(20-6-3-7-22(14-20)28(29,30)31)15-25(27(35)33-36)26(18)34(17-19-5-4-12-32-16-19)40(37,38)24-10-8-23(39-2)9-11-24/h3-16,36H,17H2,1-2H3,(H,33,35)
Affinity DataIC50: 1nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103171(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N3O5S/c1-18-13-21(20-6-3-7-22(14-20)28(29,30)31)15-25(27(35)33-36)26(18)34(17-19-5-4-12-32-16-19)40(37,38)24-10-8-23(39-2)9-11-24/h3-16,36H,17H2,1-2H3,(H,33,35)
Affinity DataIC50: 2nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103159(5-Dimethylamino-N-hydroxy-2-[(4-methoxy-benzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)N(C)C
Show InChI InChI=1S/C23H26N4O5S/c1-16-12-18(26(2)3)13-21(23(28)25-29)22(16)27(15-17-6-5-11-24-14-17)33(30,31)20-9-7-19(32-4)8-10-20/h5-14,29H,15H2,1-4H3,(H,25,28)
Affinity DataIC50: 2nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103162(CHEMBL68542 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1ccc2ccccc2c1
Show InChI InChI=1S/C31H27N3O5S/c1-21-16-26(25-10-9-23-7-3-4-8-24(23)17-25)18-29(31(35)33-36)30(21)34(20-22-6-5-15-32-19-22)40(37,38)28-13-11-27(39-2)12-14-28/h3-19,36H,20H2,1-2H3,(H,33,35)
Affinity DataIC50: 2nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103164(2-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cc(C)cc1-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H25N3O5S/c1-19-15-24(21-8-4-3-5-9-21)26(25(16-19)27(31)29-32)30(18-20-7-6-14-28-17-20)36(33,34)23-12-10-22(35-2)11-13-23/h3-17,32H,18H2,1-2H3,(H,29,31)
Affinity DataIC50: 3nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103169(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1ccccc1
Show InChI InChI=1S/C27H25N3O5S/c1-19-15-22(21-8-4-3-5-9-21)16-25(27(31)29-32)26(19)30(18-20-7-6-14-28-17-20)36(33,34)24-12-10-23(35-2)11-13-24/h3-17,32H,18H2,1-2H3,(H,29,31)
Affinity DataIC50: 3nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103168(CHEMBL71686 | N-Hydroxy-3,5-dimethyl-2-[methyl-(4-...)
Show SMILES CN(c1c(C)cc(C)cc1C(=O)NO)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O4S2/c1-15-13-16(2)21(20(14-15)22(25)23-26)24(3)30(27,28)19-11-9-18(10-12-19)29-17-7-5-4-6-8-17/h4-14,26H,1-3H3,(H,23,25)
Affinity DataIC50: 3nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103156(2-[Benzyl-(4-phenoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(c1)C(=O)NO
Show InChI InChI=1S/C28H26N2O5S/c1-20-17-21(2)27(26(18-20)28(31)29-32)30(19-22-9-5-3-6-10-22)36(33,34)25-15-13-24(14-16-25)35-23-11-7-4-8-12-23/h3-18,32H,19H2,1-2H3,(H,29,31)
Affinity DataIC50: 4nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103165(CHEMBL68212 | N-Hydroxy-3-methyl-2-{methyl-[4-(pyr...)
Show SMILES CN(c1c(C)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C20H19N3O5S/c1-14-4-3-5-18(20(24)22-25)19(14)23(2)29(26,27)17-8-6-15(7-9-17)28-16-10-12-21-13-11-16/h3-13,25H,1-2H3,(H,22,24)
Affinity DataIC50: 4nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103169(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1ccccc1
Show InChI InChI=1S/C27H25N3O5S/c1-19-15-22(21-8-4-3-5-9-21)16-25(27(31)29-32)26(19)30(18-20-7-6-14-28-17-20)36(33,34)24-12-10-23(35-2)11-13-24/h3-17,32H,18H2,1-2H3,(H,29,31)
Affinity DataIC50: 4nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103154(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-5-die...)
Show SMILES CCN(CC)Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c(c1)C(=O)NO
Show InChI InChI=1S/C27H33N3O5S/c1-5-29(6-2)18-22-16-20(3)26(25(17-22)27(31)28-32)30(19-21-10-8-7-9-11-21)36(33,34)24-14-12-23(35-4)13-15-24/h7-17,32H,5-6,18-19H2,1-4H3,(H,28,31)
Affinity DataIC50: 5nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50096463(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
Affinity DataIC50: 5nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103156(2-[Benzyl-(4-phenoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(c1)C(=O)NO
Show InChI InChI=1S/C28H26N2O5S/c1-20-17-21(2)27(26(18-20)28(31)29-32)30(19-22-9-5-3-6-10-22)36(33,34)25-15-13-24(14-16-25)35-23-11-7-4-8-12-23/h3-18,32H,19H2,1-2H3,(H,29,31)
Affinity DataIC50: 6nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103165(CHEMBL68212 | N-Hydroxy-3-methyl-2-{methyl-[4-(pyr...)
Show SMILES CN(c1c(C)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C20H19N3O5S/c1-14-4-3-5-18(20(24)22-25)19(14)23(2)29(26,27)17-8-6-15(7-9-17)28-16-10-12-21-13-11-16/h3-13,25H,1-2H3,(H,22,24)
Affinity DataIC50: 7nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103164(2-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cc(C)cc1-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H25N3O5S/c1-19-15-24(21-8-4-3-5-9-21)26(25(16-19)27(31)29-32)30(18-20-7-6-14-28-17-20)36(33,34)23-12-10-22(35-2)11-13-23/h3-17,32H,18H2,1-2H3,(H,29,31)
Affinity DataIC50: 7nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM8465((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
Affinity DataIC50: 8nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103161(3-Furan-2-yl-N-hydroxy-2-[(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cc(C)cc1-c1ccco1)C(=O)NO
Show InChI InChI=1S/C25H23N3O6S/c1-17-13-21(23-6-4-12-34-23)24(22(14-17)25(29)27-30)28(16-18-5-3-11-26-15-18)35(31,32)20-9-7-19(33-2)8-10-20/h3-15,30H,16H2,1-2H3,(H,27,29)
Affinity DataIC50: 8nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50096463(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
Affinity DataIC50: 8nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103168(CHEMBL71686 | N-Hydroxy-3,5-dimethyl-2-[methyl-(4-...)
Show SMILES CN(c1c(C)cc(C)cc1C(=O)NO)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O4S2/c1-15-13-16(2)21(20(14-15)22(25)23-26)24(3)30(27,28)19-11-9-18(10-12-19)29-17-7-5-4-6-8-17/h4-14,26H,1-3H3,(H,23,25)
Affinity DataIC50: 8nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM8465((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
Affinity DataIC50: 9nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103177(CHEMBL307079 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(C)cc1C(=O)NO
Show InChI InChI=1S/C22H23N3O5S/c1-15-11-16(2)21(20(12-15)22(26)24-27)25(14-17-5-4-10-23-13-17)31(28,29)19-8-6-18(30-3)7-9-19/h4-13,27H,14H2,1-3H3,(H,24,26)
Affinity DataIC50: 11nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103177(CHEMBL307079 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(C)cc1C(=O)NO
Show InChI InChI=1S/C22H23N3O5S/c1-15-11-16(2)21(20(12-15)22(26)24-27)25(14-17-5-4-10-23-13-17)31(28,29)19-8-6-18(30-3)7-9-19/h4-13,27H,14H2,1-3H3,(H,24,26)
Affinity DataIC50: 15nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM8465((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
Affinity DataIC50: 15nMAssay Description:In vitro inhibition of Matrix metalloprotease-1More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103175(CHEMBL71645 | N-Hydroxy-2-[(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C27H25N3O5S/c1-19-5-3-7-25(27(31)29-32)26(19)30(18-20-6-4-16-28-17-20)36(33,34)24-14-10-22(11-15-24)21-8-12-23(35-2)13-9-21/h3-17,32H,18H2,1-2H3,(H,29,31)
Affinity DataIC50: 18nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103161(3-Furan-2-yl-N-hydroxy-2-[(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cc(C)cc1-c1ccco1)C(=O)NO
Show InChI InChI=1S/C25H23N3O6S/c1-17-13-21(23-6-4-12-34-23)24(22(14-17)25(29)27-30)28(16-18-5-3-11-26-15-18)35(31,32)20-9-7-19(33-2)8-10-20/h3-15,30H,16H2,1-2H3,(H,27,29)
Affinity DataIC50: 18nMAssay Description:In vitro inhibition of Matrix metalloprotease-1More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103160(5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(Br)cc1C(=O)NO
Show InChI InChI=1S/C21H20BrN3O5S/c1-14-10-16(22)11-19(21(26)24-27)20(14)25(13-15-4-3-9-23-12-15)31(28,29)18-7-5-17(30-2)6-8-18/h3-12,27H,13H2,1-2H3,(H,24,26)
Affinity DataIC50: 20nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103163(5-Bromo-N-hydroxy-3-methyl-2-{methyl-[4'-(thiazol-...)
Show SMILES CN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2nccs2)cc1
Show InChI InChI=1S/C25H22BrN3O5S2/c1-16-13-19(26)14-22(25(30)28-31)24(16)29(2)36(32,33)21-9-5-18(6-10-21)17-3-7-20(8-4-17)34-15-23-27-11-12-35-23/h3-14,31H,15H2,1-2H3,(H,28,30)
Affinity DataIC50: 23nMAssay Description:In vitro inhibition of TNF-alpha converting enzyme (TACE)More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103160(5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(Br)cc1C(=O)NO
Show InChI InChI=1S/C21H20BrN3O5S/c1-14-10-16(22)11-19(21(26)24-27)20(14)25(13-15-4-3-9-23-12-15)31(28,29)18-7-5-17(30-2)6-8-18/h3-12,27H,13H2,1-2H3,(H,24,26)
Affinity DataIC50: 24nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103153(2-[Benzyl-(4-ethoxy-benzenesulfonyl)-amino]-N-hydr...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(C)cc(C)cc1C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-4-31-20-10-12-21(13-11-20)32(29,30)26(16-19-8-6-5-7-9-19)23-18(3)14-17(2)15-22(23)24(27)25-28/h5-15,28H,4,16H2,1-3H3,(H,25,27)
Affinity DataIC50: 24nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103172(2-[(4-Benzo[1,3]dioxol-5-yl-benzenesulfonyl)-pyrid...)
Show SMILES Cc1cccc(C(=O)NO)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(cc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C27H23N3O6S/c1-18-4-2-6-23(27(31)29-32)26(18)30(16-19-5-3-13-28-15-19)37(33,34)22-10-7-20(8-11-22)21-9-12-24-25(14-21)36-17-35-24/h2-15,32H,16-17H2,1H3,(H,29,31)
Affinity DataIC50: 26nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103166(5-Bromo-N-hydroxy-3-methyl-2-{methyl-[4'-(pyridin-...)
Show SMILES CN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccnc2)cc1
Show InChI InChI=1S/C27H24BrN3O5S/c1-18-14-22(28)15-25(27(32)30-33)26(18)31(2)37(34,35)24-11-7-21(8-12-24)20-5-9-23(10-6-20)36-17-19-4-3-13-29-16-19/h3-16,33H,17H2,1-2H3,(H,30,32)
Affinity DataIC50: 28nMAssay Description:In vitro inhibition of TNF-alpha converting enzyme (TACE)More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103158(CHEMBL309105 | N-Hydroxy-2-{methyl-[4-(pyridin-4-y...)
Show SMILES CN(c1ccccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C19H17N3O5S/c1-22(18-5-3-2-4-17(18)19(23)21-24)28(25,26)16-8-6-14(7-9-16)27-15-10-12-20-13-11-15/h2-13,24H,1H3,(H,21,23)
Affinity DataIC50: 38nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103159(5-Dimethylamino-N-hydroxy-2-[(4-methoxy-benzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)N(C)C
Show InChI InChI=1S/C23H26N4O5S/c1-16-12-18(26(2)3)13-21(23(28)25-29)22(16)27(15-17-6-5-11-24-14-17)33(30,31)20-9-7-19(32-4)8-10-20/h5-14,29H,15H2,1-4H3,(H,25,28)
Affinity DataIC50: 39nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103160(5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(Br)cc1C(=O)NO
Show InChI InChI=1S/C21H20BrN3O5S/c1-14-10-16(22)11-19(21(26)24-27)20(14)25(13-15-4-3-9-23-12-15)31(28,29)18-7-5-17(30-2)6-8-18/h3-12,27H,13H2,1-2H3,(H,24,26)
Affinity DataIC50: 43nMAssay Description:In vitro inhibition of TNF-alpha converting enzyme (TACE)More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103174(5-Bromo-2-{[4-(4-tert-butyl-phenoxy)-benzenesulfon...)
Show SMILES CN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H27BrN2O5S/c1-16-14-18(26)15-22(24(29)27-30)23(16)28(5)34(31,32)21-12-10-20(11-13-21)33-19-8-6-17(7-9-19)25(2,3)4/h6-15,30H,1-5H3,(H,27,29)
Affinity DataIC50: 44nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103157(2-[Benzyl-(4-phenethyloxy-benzenesulfonyl)-amino]-...)
Show SMILES Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCc3ccccc3)cc2)c(c1)C(=O)NO
Show InChI InChI=1S/C30H30N2O5S/c1-22-19-23(2)29(28(20-22)30(33)31-34)32(21-25-11-7-4-8-12-25)38(35,36)27-15-13-26(14-16-27)37-18-17-24-9-5-3-6-10-24/h3-16,19-20,34H,17-18,21H2,1-2H3,(H,31,33)
Affinity DataIC50: 46nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103176(5-Bromo-N-hydroxy-3-methyl-2-{methyl-[4'-(thiophen...)
Show SMILES CN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccsc2)cc1
Show InChI InChI=1S/C26H23BrN2O5S2/c1-17-13-21(27)14-24(26(30)28-31)25(17)29(2)36(32,33)23-9-5-20(6-10-23)19-3-7-22(8-4-19)34-15-18-11-12-35-16-18/h3-14,16,31H,15H2,1-2H3,(H,28,30)
Affinity DataIC50: 56nMAssay Description:In vitro inhibition of TNF-alpha converting enzyme (TACE)More data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103167(2-[(4'-Benzyloxy-biphenyl-4-sulfonyl)-methyl-amino...)
Show SMILES CN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C28H25BrN2O5S/c1-19-16-23(29)17-26(28(32)30-33)27(19)31(2)37(34,35)25-14-10-22(11-15-25)21-8-12-24(13-9-21)36-18-20-6-4-3-5-7-20/h3-17,33H,18H2,1-2H3,(H,30,32)
Affinity DataIC50: 57nMAssay Description:In vitro inhibition of TNF-alpha converting enzyme (TACE)More data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103161(3-Furan-2-yl-N-hydroxy-2-[(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cc(C)cc1-c1ccco1)C(=O)NO
Show InChI InChI=1S/C25H23N3O6S/c1-17-13-21(23-6-4-12-34-23)24(22(14-17)25(29)27-30)28(16-18-5-3-11-26-15-18)35(31,32)20-9-7-19(33-2)8-10-20/h3-15,30H,16H2,1-2H3,(H,27,29)
Affinity DataIC50: 61nMAssay Description:In vitro inhibition of TNF-alpha converting enzyme (TACE)More data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103169(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1ccccc1
Show InChI InChI=1S/C27H25N3O5S/c1-19-15-22(21-8-4-3-5-9-21)16-25(27(31)29-32)26(19)30(18-20-7-6-14-28-17-20)36(33,34)24-12-10-23(35-2)11-13-24/h3-17,32H,18H2,1-2H3,(H,29,31)
Affinity DataIC50: 64nMAssay Description:In vitro inhibition of TNF-alpha converting enzyme (TACE)More data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103177(CHEMBL307079 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(C)cc1C(=O)NO
Show InChI InChI=1S/C22H23N3O5S/c1-15-11-16(2)21(20(12-15)22(26)24-27)25(14-17-5-4-10-23-13-17)31(28,29)19-8-6-18(30-3)7-9-19/h4-13,27H,14H2,1-3H3,(H,24,26)
Affinity DataIC50: 70nMAssay Description:In vitro inhibition of TNF-alpha converting enzyme (TACE)More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103159(5-Dimethylamino-N-hydroxy-2-[(4-methoxy-benzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)N(C)C
Show InChI InChI=1S/C23H26N4O5S/c1-16-12-18(26(2)3)13-21(23(28)25-29)22(16)27(15-17-6-5-11-24-14-17)33(30,31)20-9-7-19(32-4)8-10-20/h5-14,29H,15H2,1-4H3,(H,25,28)
Affinity DataIC50: 74nMAssay Description:In vitro inhibition of Matrix metalloprotease-1More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103157(2-[Benzyl-(4-phenethyloxy-benzenesulfonyl)-amino]-...)
Show SMILES Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCc3ccccc3)cc2)c(c1)C(=O)NO
Show InChI InChI=1S/C30H30N2O5S/c1-22-19-23(2)29(28(20-22)30(33)31-34)32(21-25-11-7-4-8-12-25)38(35,36)27-15-13-26(14-16-27)37-18-17-24-9-5-3-6-10-24/h3-16,19-20,34H,17-18,21H2,1-2H3,(H,31,33)
Affinity DataIC50: 75nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103164(2-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cc(C)cc1-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H25N3O5S/c1-19-15-24(21-8-4-3-5-9-21)26(25(16-19)27(31)29-32)30(18-20-7-6-14-28-17-20)36(33,34)23-12-10-22(35-2)11-13-23/h3-17,32H,18H2,1-2H3,(H,29,31)
Affinity DataIC50: 103nMAssay Description:In vitro inhibition of Matrix metalloprotease-1More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103154(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-5-die...)
Show SMILES CCN(CC)Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c(c1)C(=O)NO
Show InChI InChI=1S/C27H33N3O5S/c1-5-29(6-2)18-22-16-20(3)26(25(17-22)27(31)28-32)30(19-21-10-8-7-9-11-21)36(33,34)24-14-12-23(35-4)13-15-24/h7-17,32H,5-6,18-19H2,1-4H3,(H,28,31)
Affinity DataIC50: 113nMAssay Description:Inhibition of matrix metalloprotease-13More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103160(5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(Br)cc1C(=O)NO
Show InChI InChI=1S/C21H20BrN3O5S/c1-14-10-16(22)11-19(21(26)24-27)20(14)25(13-15-4-3-9-23-12-15)31(28,29)18-7-5-17(30-2)6-8-18/h3-12,27H,13H2,1-2H3,(H,24,26)
Affinity DataIC50: 124nMAssay Description:In vitro inhibition of Matrix metalloprotease-1More data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103174(5-Bromo-2-{[4-(4-tert-butyl-phenoxy)-benzenesulfon...)
Show SMILES CN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H27BrN2O5S/c1-16-14-18(26)15-22(24(29)27-30)23(16)28(5)34(31,32)21-12-10-20(11-13-21)33-19-8-6-17(7-9-19)25(2,3)4/h6-15,30H,1-5H3,(H,27,29)
Affinity DataIC50: 125nMAssay Description:In vitro ability to inhibit matrix metalloprotease-9.More data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Wyeth-Ayerst Research

Curated by ChEMBL
LigandPNGBDBM50103177(CHEMBL307079 | N-Hydroxy-2-[(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(C)cc1C(=O)NO
Show InChI InChI=1S/C22H23N3O5S/c1-15-11-16(2)21(20(12-15)22(26)24-27)25(14-17-5-4-10-23-13-17)31(28,29)19-8-6-18(30-3)7-9-19/h4-13,27H,14H2,1-3H3,(H,24,26)
Affinity DataIC50: 132nMAssay Description:In vitro inhibition of Matrix metalloprotease-1More data for this Ligand-Target Pair
Displayed 1 to 50 (of 88 total ) | Next | Last >>
Jump to: