Found 31 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM8465
((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 |r| 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 | PDB
MMDB
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| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of truncated gelatinase B (Matrix metalloprotease-9) |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM8465
((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 |r| 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 | PDB
MMDB
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| PDB
Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of truncated collagenase-1 (Matrix metalloprotease-1) |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Stromelysin-1
(Homo sapiens (Human)) | BDBM8465
((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 |r| 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 | PDB
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of truncated stromelysin (Matrix metalloprotease-3) |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50066659
(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25) | PDB
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50066657
(1,3-Bis-(4-methoxy-benzenesulfonyl)-hexahydro-pyri...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-4-8-16(9-5-14)31(25,26)21-12-3-13-22(19(21)18(23)20-24)32(27,28)17-10-6-15(30-2)7-11-17/h4-11,19,24H,3,12-13H2,1-2H3,(H,20,23) | PDB
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| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM8465
((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 |r| 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 | PDB
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| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50066656
(5-Hydroxy-1,3-bis-(4-methoxy-benzenesulfonyl)-hexa...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(O)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 |(19.6,-7.16,;18.17,-6.54,;16.93,-7.46,;15.52,-6.83,;14.28,-7.74,;14.43,-9.26,;15.85,-9.89,;17.09,-9,;13.19,-10.18,;12.28,-8.92,;14.09,-11.43,;11.94,-11.08,;12.09,-12.61,;10.85,-13.5,;11.02,-15.04,;9.45,-12.87,;9.29,-11.35,;10.52,-10.45,;10.37,-8.92,;8.96,-8.29,;11.61,-8,;11.45,-6.48,;7.87,-10.72,;8.5,-9.31,;7.24,-12.13,;6.46,-10.09,;6.31,-8.57,;4.9,-7.94,;3.65,-8.84,;2.22,-8.22,;2.05,-6.68,;3.81,-10.37,;5.22,-10.99,)| Show InChI InChI=1S/C19H23N3O9S2/c1-30-14-3-7-16(8-4-14)32(26,27)21-11-13(23)12-22(19(21)18(24)20-25)33(28,29)17-9-5-15(31-2)6-10-17/h3-10,13,19,23,25H,11-12H2,1-2H3,(H,20,24) | PDB
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| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50066661
(8,10-Bis-(4-methoxy-benzenesulfonyl)-1,5-dithia-8,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC2(CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1)SCCCS2 Show InChI InChI=1S/C22H27N3O8S4/c1-32-16-4-8-18(9-5-16)36(28,29)24-14-22(34-12-3-13-35-22)15-25(21(24)20(26)23-27)37(30,31)19-10-6-17(33-2)7-11-19/h4-11,21,27H,3,12-15H2,1-2H3,(H,23,26) | PDB
MMDB
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| Article
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM8465
((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 |r| 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 | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50066659
(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50066661
(8,10-Bis-(4-methoxy-benzenesulfonyl)-1,5-dithia-8,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC2(CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1)SCCCS2 Show InChI InChI=1S/C22H27N3O8S4/c1-32-16-4-8-18(9-5-16)36(28,29)24-14-22(34-12-3-13-35-22)15-25(21(24)20(26)23-27)37(30,31)19-10-6-17(33-2)7-11-19/h4-11,21,27H,3,12-15H2,1-2H3,(H,23,26) | PDB
MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50066660
(1,3-Bis-(4-butoxy-benzenesulfonyl)-5,5-dimethyl-he...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OCCCC)cc1 Show InChI InChI=1S/C27H39N3O8S2/c1-5-7-17-37-21-9-13-23(14-10-21)39(33,34)29-19-27(3,4)20-30(26(29)25(31)28-32)40(35,36)24-15-11-22(12-16-24)38-18-8-6-2/h9-16,26,32H,5-8,17-20H2,1-4H3,(H,28,31) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50066659
(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25) | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50066659
(1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-7 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50066657
(1,3-Bis-(4-methoxy-benzenesulfonyl)-hexahydro-pyri...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-4-8-16(9-5-14)31(25,26)21-12-3-13-22(19(21)18(23)20-24)32(27,28)17-10-6-15(30-2)7-11-17/h4-11,19,24H,3,12-13H2,1-2H3,(H,20,23) | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50066656
(5-Hydroxy-1,3-bis-(4-methoxy-benzenesulfonyl)-hexa...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(O)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 |(19.6,-7.16,;18.17,-6.54,;16.93,-7.46,;15.52,-6.83,;14.28,-7.74,;14.43,-9.26,;15.85,-9.89,;17.09,-9,;13.19,-10.18,;12.28,-8.92,;14.09,-11.43,;11.94,-11.08,;12.09,-12.61,;10.85,-13.5,;11.02,-15.04,;9.45,-12.87,;9.29,-11.35,;10.52,-10.45,;10.37,-8.92,;8.96,-8.29,;11.61,-8,;11.45,-6.48,;7.87,-10.72,;8.5,-9.31,;7.24,-12.13,;6.46,-10.09,;6.31,-8.57,;4.9,-7.94,;3.65,-8.84,;2.22,-8.22,;2.05,-6.68,;3.81,-10.37,;5.22,-10.99,)| Show InChI InChI=1S/C19H23N3O9S2/c1-30-14-3-7-16(8-4-14)32(26,27)21-11-13(23)12-22(19(21)18(24)20-25)33(28,29)17-9-5-15(31-2)6-10-17/h3-10,13,19,23,25H,11-12H2,1-2H3,(H,20,24) | PDB
MMDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM8465
((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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50066656
(5-Hydroxy-1,3-bis-(4-methoxy-benzenesulfonyl)-hexa...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(O)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 |(19.6,-7.16,;18.17,-6.54,;16.93,-7.46,;15.52,-6.83,;14.28,-7.74,;14.43,-9.26,;15.85,-9.89,;17.09,-9,;13.19,-10.18,;12.28,-8.92,;14.09,-11.43,;11.94,-11.08,;12.09,-12.61,;10.85,-13.5,;11.02,-15.04,;9.45,-12.87,;9.29,-11.35,;10.52,-10.45,;10.37,-8.92,;8.96,-8.29,;11.61,-8,;11.45,-6.48,;7.87,-10.72,;8.5,-9.31,;7.24,-12.13,;6.46,-10.09,;6.31,-8.57,;4.9,-7.94,;3.65,-8.84,;2.22,-8.22,;2.05,-6.68,;3.81,-10.37,;5.22,-10.99,)| Show InChI InChI=1S/C19H23N3O9S2/c1-30-14-3-7-16(8-4-14)32(26,27)21-11-13(23)12-22(19(21)18(24)20-25)33(28,29)17-9-5-15(31-2)6-10-17/h3-10,13,19,23,25H,11-12H2,1-2H3,(H,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50066661
(8,10-Bis-(4-methoxy-benzenesulfonyl)-1,5-dithia-8,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC2(CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1)SCCCS2 Show InChI InChI=1S/C22H27N3O8S4/c1-32-16-4-8-18(9-5-16)36(28,29)24-14-22(34-12-3-13-35-22)15-25(21(24)20(26)23-27)37(30,31)19-10-6-17(33-2)7-11-19/h4-11,21,27H,3,12-15H2,1-2H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50066657
(1,3-Bis-(4-methoxy-benzenesulfonyl)-hexahydro-pyri...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-4-8-16(9-5-14)31(25,26)21-12-3-13-22(19(21)18(23)20-24)32(27,28)17-10-6-15(30-2)7-11-17/h4-11,19,24H,3,12-13H2,1-2H3,(H,20,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50066660
(1,3-Bis-(4-butoxy-benzenesulfonyl)-5,5-dimethyl-he...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OCCCC)cc1 Show InChI InChI=1S/C27H39N3O8S2/c1-5-7-17-37-21-9-13-23(14-10-21)39(33,34)29-19-27(3,4)20-30(26(29)25(31)28-32)40(35,36)24-15-11-22(12-16-24)38-18-8-6-2/h9-16,26,32H,5-8,17-20H2,1-4H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM8465
((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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-7 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50066661
(8,10-Bis-(4-methoxy-benzenesulfonyl)-1,5-dithia-8,...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC2(CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1)SCCCS2 Show InChI InChI=1S/C22H27N3O8S4/c1-32-16-4-8-18(9-5-16)36(28,29)24-14-22(34-12-3-13-35-22)15-25(21(24)20(26)23-27)37(30,31)19-10-6-17(33-2)7-11-19/h4-11,21,27H,3,12-15H2,1-2H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-7 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50066656
(5-Hydroxy-1,3-bis-(4-methoxy-benzenesulfonyl)-hexa...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(O)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 |(19.6,-7.16,;18.17,-6.54,;16.93,-7.46,;15.52,-6.83,;14.28,-7.74,;14.43,-9.26,;15.85,-9.89,;17.09,-9,;13.19,-10.18,;12.28,-8.92,;14.09,-11.43,;11.94,-11.08,;12.09,-12.61,;10.85,-13.5,;11.02,-15.04,;9.45,-12.87,;9.29,-11.35,;10.52,-10.45,;10.37,-8.92,;8.96,-8.29,;11.61,-8,;11.45,-6.48,;7.87,-10.72,;8.5,-9.31,;7.24,-12.13,;6.46,-10.09,;6.31,-8.57,;4.9,-7.94,;3.65,-8.84,;2.22,-8.22,;2.05,-6.68,;3.81,-10.37,;5.22,-10.99,)| Show InChI InChI=1S/C19H23N3O9S2/c1-30-14-3-7-16(8-4-14)32(26,27)21-11-13(23)12-22(19(21)18(24)20-25)33(28,29)17-9-5-15(31-2)6-10-17/h3-10,13,19,23,25H,11-12H2,1-2H3,(H,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 366 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-7 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50066657
(1,3-Bis-(4-methoxy-benzenesulfonyl)-hexahydro-pyri...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-4-8-16(9-5-14)31(25,26)21-12-3-13-22(19(21)18(23)20-24)32(27,28)17-10-6-15(30-2)7-11-17/h4-11,19,24H,3,12-13H2,1-2H3,(H,20,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-7 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50066660
(1,3-Bis-(4-butoxy-benzenesulfonyl)-5,5-dimethyl-he...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OCCCC)cc1 Show InChI InChI=1S/C27H39N3O8S2/c1-5-7-17-37-21-9-13-23(14-10-21)39(33,34)29-19-27(3,4)20-30(26(29)25(31)28-32)40(35,36)24-15-11-22(12-16-24)38-18-8-6-2/h9-16,26,32H,5-8,17-20H2,1-4H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 716 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-7 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50066663
(1,3-Bis-(4-methoxy-benzenesulfonyl)-[1,3]diazepane...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C20H25N3O8S2/c1-30-15-5-9-17(10-6-15)32(26,27)22-13-3-4-14-23(20(22)19(24)21-25)33(28,29)18-11-7-16(31-2)8-12-18/h5-12,20,25H,3-4,13-14H2,1-2H3,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 827 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50066662
(1,3-Bis-(4-methoxy-benzenesulfonyl)-imidazolidine-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H21N3O8S2/c1-28-13-3-7-15(8-4-13)30(24,25)20-11-12-21(18(20)17(22)19-23)31(26,27)16-9-5-14(29-2)6-10-16/h3-10,18,23H,11-12H2,1-2H3,(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50066663
(1,3-Bis-(4-methoxy-benzenesulfonyl)-[1,3]diazepane...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C20H25N3O8S2/c1-30-15-5-9-17(10-6-15)32(26,27)22-13-3-4-14-23(20(22)19(24)21-25)33(28,29)18-11-7-16(31-2)8-12-18/h5-12,20,25H,3-4,13-14H2,1-2H3,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-3 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50066660
(1,3-Bis-(4-butoxy-benzenesulfonyl)-5,5-dimethyl-he...)Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OCCCC)cc1 Show InChI InChI=1S/C27H39N3O8S2/c1-5-7-17-37-21-9-13-23(14-10-21)39(33,34)29-19-27(3,4)20-30(26(29)25(31)28-32)40(35,36)24-15-11-22(12-16-24)38-18-8-6-2/h9-16,26,32H,5-8,17-20H2,1-4H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50066662
(1,3-Bis-(4-methoxy-benzenesulfonyl)-imidazolidine-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H21N3O8S2/c1-28-13-3-7-15(8-4-13)30(24,25)20-11-12-21(18(20)17(22)19-23)31(26,27)16-9-5-14(29-2)6-10-16/h3-10,18,23H,11-12H2,1-2H3,(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-1 |
J Med Chem 41: 3568-71 (1998)
Article DOI: 10.1021/jm980253r
BindingDB Entry DOI: 10.7270/Q22F7P4F |
More data for this
Ligand-Target Pair | |
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