Found 34 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 |
|---|
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076153
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES COc1ccc(cc1)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H30N4O6S/c1-25(2,3)27-23(31)21(16-7-11-18(35-4)12-8-16)28-20(22(30)26-19(14-36)24(28)32)13-15-5-9-17(10-6-15)29(33)34/h5-12,19-21,36H,13-14H2,1-4H3,(H,26,30)(H,27,31)/t19-,20-,21?/m0/s1 | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076158
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CC(C)CC(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C22H32N4O5S/c1-13(2)10-17(20(28)24-22(3,4)5)25-18(19(27)23-16(12-32)21(25)29)11-14-6-8-15(9-7-14)26(30)31/h6-9,13,16-18,32H,10-12H2,1-5H3,(H,23,27)(H,24,28)/t16-,17?,18-/m0/s1 | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076151
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccccc1 Show InChI InChI=1S/C24H28N4O5S/c1-24(2,3)26-22(30)20(16-7-5-4-6-8-16)27-19(21(29)25-18(14-34)23(27)31)13-15-9-11-17(12-10-15)28(32)33/h4-12,18-20,34H,13-14H2,1-3H3,(H,25,29)(H,26,30)/t18-,19-,20?/m0/s1 | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50064797
((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-m...)Show SMILES COc1ccc(CN2[C@@H](CC3CCCCC3)C(=O)N[C@@H](CS)C2=O)cc1 Show InChI InChI=1S/C20H28N2O3S/c1-25-16-9-7-15(8-10-16)12-22-18(11-14-5-3-2-4-6-14)19(23)21-17(13-26)20(22)24/h7-10,14,17-18,26H,2-6,11-13H2,1H3,(H,21,23)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076152
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CCCCCCCC(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H38N4O5S/c1-5-6-7-8-9-10-20(23(31)27-25(2,3)4)28-21(22(30)26-19(16-35)24(28)32)15-17-11-13-18(14-12-17)29(33)34/h11-14,19-21,35H,5-10,15-16H2,1-4H3,(H,26,30)(H,27,31)/t19-,20?,21-/m0/s1 | 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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50423419
(CHEMBL251687)Show SMILES CC(C)(C)NC(=O)C(Cc1ccccc1)N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O Show InChI InChI=1S/C25H30N4O5S/c1-25(2,3)27-23(31)21(13-16-7-5-4-6-8-16)28-20(22(30)26-19(15-35)24(28)32)14-17-9-11-18(12-10-17)29(33)34/h4-12,19-21,35H,13-15H2,1-3H3,(H,26,30)(H,27,31)/t19-,20-,21?/m0/s1 | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076162
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CC(C)(C)NC(=O)C(C1CC1)N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)23-19(27)17(13-6-7-13)24-16(18(26)22-15(11-31)20(24)28)10-12-4-8-14(9-5-12)25(29)30/h4-5,8-9,13,15-17,31H,6-7,10-11H2,1-3H3,(H,22,26)(H,23,27)/t15-,16-,17?/m0/s1 | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076159
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CCc1ccc(cc1)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C26H32N4O5S/c1-5-16-6-10-18(11-7-16)22(24(32)28-26(2,3)4)29-21(23(31)27-20(15-36)25(29)33)14-17-8-12-19(13-9-17)30(34)35/h6-13,20-22,36H,5,14-15H2,1-4H3,(H,27,31)(H,28,32)/t20-,21-,22?/m0/s1 | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076155
((3R,6S)-3-Mercaptomethyl-1-(4-methoxy-benzyl)-6-(4...)Show SMILES COc1ccc(CN2[C@@H](Cc3ccc(cc3)[N+]([O-])=O)C(=O)N[C@@H](CS)C2=O)cc1 Show InChI InChI=1S/C20H21N3O5S/c1-28-16-8-4-14(5-9-16)11-22-18(19(24)21-17(12-29)20(22)25)10-13-2-6-15(7-3-13)23(26)27/h2-9,17-18,29H,10-12H2,1H3,(H,21,24)/t17-,18-/m0/s1 | 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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076156
((3R,6R)-3-Mercaptomethyl-1-(4-methoxy-benzyl)-6-(4...)Show SMILES COc1ccc(CSC[C@@H]2N(Cc3ccc(OC)cc3)C(=O)[C@H](CS)NC2=O)cc1 Show InChI InChI=1S/C22H26N2O4S2/c1-27-17-7-3-15(4-8-17)11-24-20(21(25)23-19(12-29)22(24)26)14-30-13-16-5-9-18(28-2)10-6-16/h3-10,19-20,29H,11-14H2,1-2H3,(H,23,25)/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076154
((3R,6S)-3-(mercaptomethyl)-6-(4-nitrobenzyl)-1-pro...)Show SMILES CCCN1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O |r| Show InChI InChI=1S/C15H19N3O4S/c1-2-7-17-13(14(19)16-12(9-23)15(17)20)8-10-3-5-11(6-4-10)18(21)22/h3-6,12-13,23H,2,7-9H2,1H3,(H,16,19)/t12-,13-/m0/s1 | 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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076160
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CCCCOc1ccc(cc1)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C28H36N4O6S/c1-5-6-15-38-21-13-9-19(10-14-21)24(26(34)30-28(2,3)4)31-23(25(33)29-22(17-39)27(31)35)16-18-7-11-20(12-8-18)32(36)37/h7-14,22-24,39H,5-6,15-17H2,1-4H3,(H,29,33)(H,30,34)/t22-,23-,24?/m0/s1 | 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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076150
((3R,6S)-3-Mercaptomethyl-6-(4-nitro-benzyl)-1-quin...)Show SMILES [O-][N+](=O)c1ccc(C[C@@H]2N(Cc3ccc4ccccc4n3)C(=O)[C@H](CS)NC2=O)cc1 Show InChI InChI=1S/C22H20N4O4S/c27-21-20(11-14-5-9-17(10-6-14)26(29)30)25(22(28)19(13-31)24-21)12-16-8-7-15-3-1-2-4-18(15)23-16/h1-10,19-20,31H,11-13H2,(H,24,27)/t19-,20-/m0/s1 | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50064797
((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-m...)Show SMILES COc1ccc(CN2[C@@H](CC3CCCCC3)C(=O)N[C@@H](CS)C2=O)cc1 Show InChI InChI=1S/C20H28N2O3S/c1-25-16-9-7-15(8-10-16)12-22-18(11-14-5-3-2-4-6-14)19(23)21-17(13-26)20(22)24/h7-10,14,17-18,26H,2-6,11-13H2,1H3,(H,21,23)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076163
(2-biphenyl-4-yl-N-tert-butyl-2-[(3R,6S)-3-mercapto...)Show SMILES CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C30H32N4O5S/c1-30(2,3)32-28(36)26(22-13-11-21(12-14-22)20-7-5-4-6-8-20)33-25(27(35)31-24(18-40)29(33)37)17-19-9-15-23(16-10-19)34(38)39/h4-16,24-26,40H,17-18H2,1-3H3,(H,31,35)(H,32,36)/t24-,25-,26?/m0/s1 | 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 | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076161
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H32N4O6S/c1-30(2,3)32-28(36)26(20-11-15-23(16-12-20)40-22-7-5-4-6-8-22)33-25(27(35)31-24(18-41)29(33)37)17-19-9-13-21(14-10-19)34(38)39/h4-16,24-26,41H,17-18H2,1-3H3,(H,31,35)(H,32,36)/t24-,25-,26?/m0/s1 | 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 | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50064798
((3R,6S)-6-Benzyl-3-mercaptomethyl-1-(4-methoxy-ben...)Show SMILES COc1ccc(CN2[C@@H](Cc3ccccc3)C(=O)N[C@@H](CS)C2=O)cc1 Show InChI InChI=1S/C20H22N2O3S/c1-25-16-9-7-15(8-10-16)12-22-18(11-14-5-3-2-4-6-14)19(23)21-17(13-26)20(22)24/h2-10,17-18,26H,11-13H2,1H3,(H,21,23)/t17-,18-/m0/s1 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076156
((3R,6R)-3-Mercaptomethyl-1-(4-methoxy-benzyl)-6-(4...)Show SMILES COc1ccc(CSC[C@@H]2N(Cc3ccc(OC)cc3)C(=O)[C@H](CS)NC2=O)cc1 Show InChI InChI=1S/C22H26N2O4S2/c1-27-17-7-3-15(4-8-17)11-24-20(21(25)23-19(12-29)22(24)26)14-30-13-16-5-9-18(28-2)10-6-16/h3-10,19-20,29H,11-14H2,1-2H3,(H,23,25)/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50064798
((3R,6S)-6-Benzyl-3-mercaptomethyl-1-(4-methoxy-ben...)Show SMILES COc1ccc(CN2[C@@H](Cc3ccccc3)C(=O)N[C@@H](CS)C2=O)cc1 Show InChI InChI=1S/C20H22N2O3S/c1-25-16-9-7-15(8-10-16)12-22-18(11-14-5-3-2-4-6-14)19(23)21-17(13-26)20(22)24/h2-10,17-18,26H,11-13H2,1H3,(H,21,23)/t17-,18-/m0/s1 | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076158
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CC(C)CC(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C22H32N4O5S/c1-13(2)10-17(20(28)24-22(3,4)5)25-18(19(27)23-16(12-32)21(25)29)11-14-6-8-15(9-7-14)26(30)31/h6-9,13,16-18,32H,10-12H2,1-5H3,(H,23,27)(H,24,28)/t16-,17?,18-/m0/s1 | 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 | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076162
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CC(C)(C)NC(=O)C(C1CC1)N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O Show InChI InChI=1S/C21H28N4O5S/c1-21(2,3)23-19(27)17(13-6-7-13)24-16(18(26)22-15(11-31)20(24)28)10-12-4-8-14(9-5-12)25(29)30/h4-5,8-9,13,15-17,31H,6-7,10-11H2,1-3H3,(H,22,26)(H,23,27)/t15-,16-,17?/m0/s1 | 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 | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076155
((3R,6S)-3-Mercaptomethyl-1-(4-methoxy-benzyl)-6-(4...)Show SMILES COc1ccc(CN2[C@@H](Cc3ccc(cc3)[N+]([O-])=O)C(=O)N[C@@H](CS)C2=O)cc1 Show InChI InChI=1S/C20H21N3O5S/c1-28-16-8-4-14(5-9-16)11-22-18(19(24)21-17(12-29)20(22)25)10-13-2-6-15(7-3-13)23(26)27/h2-9,17-18,29H,10-12H2,1H3,(H,21,24)/t17-,18-/m0/s1 | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50423419
(CHEMBL251687)Show SMILES CC(C)(C)NC(=O)C(Cc1ccccc1)N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O Show InChI InChI=1S/C25H30N4O5S/c1-25(2,3)27-23(31)21(13-16-7-5-4-6-8-16)28-20(22(30)26-19(15-35)24(28)32)14-17-9-11-18(12-10-17)29(33)34/h4-12,19-21,35H,13-15H2,1-3H3,(H,26,30)(H,27,31)/t19-,20-,21?/m0/s1 | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076151
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccccc1 Show InChI InChI=1S/C24H28N4O5S/c1-24(2,3)26-22(30)20(16-7-5-4-6-8-16)27-19(21(29)25-18(14-34)23(27)31)13-15-9-11-17(12-10-15)28(32)33/h4-12,18-20,34H,13-14H2,1-3H3,(H,25,29)(H,26,30)/t18-,19-,20?/m0/s1 | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076153
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES COc1ccc(cc1)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H30N4O6S/c1-25(2,3)27-23(31)21(16-7-11-18(35-4)12-8-16)28-20(22(30)26-19(14-36)24(28)32)13-15-5-9-17(10-6-15)29(33)34/h5-12,19-21,36H,13-14H2,1-4H3,(H,26,30)(H,27,31)/t19-,20-,21?/m0/s1 | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076152
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CCCCCCCC(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H38N4O5S/c1-5-6-7-8-9-10-20(23(31)27-25(2,3)4)28-21(22(30)26-19(16-35)24(28)32)15-17-11-13-18(14-12-17)29(33)34/h11-14,19-21,35H,5-10,15-16H2,1-4H3,(H,26,30)(H,27,31)/t19-,20?,21-/m0/s1 | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076150
((3R,6S)-3-Mercaptomethyl-6-(4-nitro-benzyl)-1-quin...)Show SMILES [O-][N+](=O)c1ccc(C[C@@H]2N(Cc3ccc4ccccc4n3)C(=O)[C@H](CS)NC2=O)cc1 Show InChI InChI=1S/C22H20N4O4S/c27-21-20(11-14-5-9-17(10-6-14)26(29)30)25(22(28)19(13-31)24-21)12-16-8-7-15-3-1-2-4-18(15)23-16/h1-10,19-20,31H,11-13H2,(H,24,27)/t19-,20-/m0/s1 | 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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076159
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CCc1ccc(cc1)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C26H32N4O5S/c1-5-16-6-10-18(11-7-16)22(24(32)28-26(2,3)4)29-21(23(31)27-20(15-36)25(29)33)14-17-8-12-19(13-9-17)30(34)35/h6-13,20-22,36H,5,14-15H2,1-4H3,(H,27,31)(H,28,32)/t20-,21-,22?/m0/s1 | 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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076154
((3R,6S)-3-(mercaptomethyl)-6-(4-nitrobenzyl)-1-pro...)Show SMILES CCCN1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O |r| Show InChI InChI=1S/C15H19N3O4S/c1-2-7-17-13(14(19)16-12(9-23)15(17)20)8-10-3-5-11(6-4-10)18(21)22/h3-6,12-13,23H,2,7-9H2,1H3,(H,16,19)/t12-,13-/m0/s1 | 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 | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076160
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CCCCOc1ccc(cc1)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C28H36N4O6S/c1-5-6-15-38-21-13-9-19(10-14-21)24(26(34)30-28(2,3)4)31-23(25(33)29-22(17-39)27(31)35)16-18-7-11-20(12-8-18)32(36)37/h7-14,22-24,39H,5-6,15-17H2,1-4H3,(H,29,33)(H,30,34)/t22-,23-,24?/m0/s1 | 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 | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076163
(2-biphenyl-4-yl-N-tert-butyl-2-[(3R,6S)-3-mercapto...)Show SMILES CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C30H32N4O5S/c1-30(2,3)32-28(36)26(22-13-11-21(12-14-22)20-7-5-4-6-8-20)33-25(27(35)31-24(18-40)29(33)37)17-19-9-15-23(16-10-19)34(38)39/h4-16,24-26,40H,17-18H2,1-3H3,(H,31,35)(H,32,36)/t24-,25-,26?/m0/s1 | 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 | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076161
(2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,...)Show SMILES CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](CS)C1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H32N4O6S/c1-30(2,3)32-28(36)26(20-11-15-23(16-12-20)40-22-7-5-4-6-8-22)33-25(27(35)31-24(18-41)29(33)37)17-19-9-13-21(14-10-19)34(38)39/h4-16,24-26,41H,17-18H2,1-3H3,(H,31,35)(H,32,36)/t24-,25-,26?/m0/s1 | 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 | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076157
(CHEMBL29986 | N-[4-((2S,5R)-5-Mercaptomethyl-3,6-d...)Show SMILES CCCN1[C@@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CS)C1=O Show InChI InChI=1S/C17H23N3O3S/c1-3-8-20-15(16(22)19-14(10-24)17(20)23)9-12-4-6-13(7-5-12)18-11(2)21/h4-7,14-15,24H,3,8-10H2,1-2H3,(H,18,21)(H,19,22)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-1 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50076157
(CHEMBL29986 | N-[4-((2S,5R)-5-Mercaptomethyl-3,6-d...)Show SMILES CCCN1[C@@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CS)C1=O Show InChI InChI=1S/C17H23N3O3S/c1-3-8-20-15(16(22)19-14(10-24)17(20)23)9-12-4-6-13(7-5-12)18-11(2)21/h4-7,14-15,24H,3,8-10H2,1-2H3,(H,18,21)(H,19,22)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against Matrix metalloprotease-9 |
J Med Chem 42: 1348-57 (1999)
Article DOI: 10.1021/jm980475p
BindingDB Entry DOI: 10.7270/Q24Q7T5X |
More data for this
Ligand-Target Pair | |
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