Found 25 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 |
|---|
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50064345
((3S,5R,14S)-3-(2-Biphenyl-4-yl-ethyl)-14-methylcar...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccc(cc2)-c2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C28H36N4O5/c1-29-26(34)22-9-5-6-18-30-25(33)17-16-24(28(36)37)31-23(27(35)32-22)15-12-19-10-13-21(14-11-19)20-7-3-2-4-8-20/h2-4,7-8,10-11,13-14,22-24,31H,5-6,9,12,15-18H2,1H3,(H,29,34)(H,30,33)(H,32,35)(H,36,37)/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
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-8 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50064346
((8R,10S,13S)-13-Methylcarbamoyl-5,11,16-trioxo-10-...)Show SMILES CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C23H32N4O7/c1-24-21(30)16-10-12-20(29)34-14-13-25-19(28)11-9-18(23(32)33)26-17(22(31)27-16)8-7-15-5-3-2-4-6-15/h2-6,16-18,26H,7-14H2,1H3,(H,24,30)(H,25,28)(H,27,31)(H,32,33)/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
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-8 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50064344
((3S,5R,14S)-14-(methylcarbamoyl)-2,8-dioxo-3-phene...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)/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
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-8 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50064346
((8R,10S,13S)-13-Methylcarbamoyl-5,11,16-trioxo-10-...)Show SMILES CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C23H32N4O7/c1-24-21(30)16-10-12-20(29)34-14-13-25-19(28)11-9-18(23(32)33)26-17(22(31)27-16)8-7-15-5-3-2-4-6-15/h2-6,16-18,26H,7-14H2,1H3,(H,24,30)(H,25,28)(H,27,31)(H,32,33)/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
| 238 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50064345
((3S,5R,14S)-3-(2-Biphenyl-4-yl-ethyl)-14-methylcar...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccc(cc2)-c2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C28H36N4O5/c1-29-26(34)22-9-5-6-18-30-25(33)17-16-24(28(36)37)31-23(27(35)32-22)15-12-19-10-13-21(14-11-19)20-7-3-2-4-8-20/h2-4,7-8,10-11,13-14,22-24,31H,5-6,9,12,15-18H2,1H3,(H,29,34)(H,30,33)(H,32,35)(H,36,37)/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
| 249 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50064345
((3S,5R,14S)-3-(2-Biphenyl-4-yl-ethyl)-14-methylcar...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccc(cc2)-c2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C28H36N4O5/c1-29-26(34)22-9-5-6-18-30-25(33)17-16-24(28(36)37)31-23(27(35)32-22)15-12-19-10-13-21(14-11-19)20-7-3-2-4-8-20/h2-4,7-8,10-11,13-14,22-24,31H,5-6,9,12,15-18H2,1H3,(H,29,34)(H,30,33)(H,32,35)(H,36,37)/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
| 288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50064342
((R)-2-[(S)-1-((S)-5-Acetylamino-1-methylcarbamoyl-...)Show SMILES CNC(=O)CC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)NC)C(O)=O Show InChI InChI=1S/C25H39N5O6/c1-17(31)28-16-8-7-11-19(23(33)27-3)30-24(34)20(13-12-18-9-5-4-6-10-18)29-21(25(35)36)14-15-22(32)26-2/h4-6,9-10,19-21,29H,7-8,11-16H2,1-3H3,(H,26,32)(H,27,33)(H,28,31)(H,30,34)(H,35,36)/t19-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 293 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-8 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50064342
((R)-2-[(S)-1-((S)-5-Acetylamino-1-methylcarbamoyl-...)Show SMILES CNC(=O)CC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)NC)C(O)=O Show InChI InChI=1S/C25H39N5O6/c1-17(31)28-16-8-7-11-19(23(33)27-3)30-24(34)20(13-12-18-9-5-4-6-10-18)29-21(25(35)36)14-15-22(32)26-2/h4-6,9-10,19-21,29H,7-8,11-16H2,1-3H3,(H,26,32)(H,27,33)(H,28,31)(H,30,34)(H,35,36)/t19-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 404 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50064343
((3S,5R,13S)-13-Methylcarbamoyl-2,7-dioxo-3-pheneth...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)C[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C21H30N4O5/c1-22-19(27)15-9-5-6-12-23-18(26)13-17(21(29)30)24-16(20(28)25-15)11-10-14-7-3-2-4-8-14/h2-4,7-8,15-17,24H,5-6,9-13H2,1H3,(H,22,27)(H,23,26)(H,25,28)(H,29,30)/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
| 531 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-8 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50064343
((3S,5R,13S)-13-Methylcarbamoyl-2,7-dioxo-3-pheneth...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)C[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C21H30N4O5/c1-22-19(27)15-9-5-6-12-23-18(26)13-17(21(29)30)24-16(20(28)25-15)11-10-14-7-3-2-4-8-14/h2-4,7-8,15-17,24H,5-6,9-13H2,1H3,(H,22,27)(H,23,26)(H,25,28)(H,29,30)/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
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50064345
((3S,5R,14S)-3-(2-Biphenyl-4-yl-ethyl)-14-methylcar...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccc(cc2)-c2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C28H36N4O5/c1-29-26(34)22-9-5-6-18-30-25(33)17-16-24(28(36)37)31-23(27(35)32-22)15-12-19-10-13-21(14-11-19)20-7-3-2-4-8-20/h2-4,7-8,10-11,13-14,22-24,31H,5-6,9,12,15-18H2,1H3,(H,29,34)(H,30,33)(H,32,35)(H,36,37)/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
| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50064342
((R)-2-[(S)-1-((S)-5-Acetylamino-1-methylcarbamoyl-...)Show SMILES CNC(=O)CC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)NC)C(O)=O Show InChI InChI=1S/C25H39N5O6/c1-17(31)28-16-8-7-11-19(23(33)27-3)30-24(34)20(13-12-18-9-5-4-6-10-18)29-21(25(35)36)14-15-22(32)26-2/h4-6,9-10,19-21,29H,7-8,11-16H2,1-3H3,(H,26,32)(H,27,33)(H,28,31)(H,30,34)(H,35,36)/t19-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50064345
((3S,5R,14S)-3-(2-Biphenyl-4-yl-ethyl)-14-methylcar...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccc(cc2)-c2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C28H36N4O5/c1-29-26(34)22-9-5-6-18-30-25(33)17-16-24(28(36)37)31-23(27(35)32-22)15-12-19-10-13-21(14-11-19)20-7-3-2-4-8-20/h2-4,7-8,10-11,13-14,22-24,31H,5-6,9,12,15-18H2,1H3,(H,29,34)(H,30,33)(H,32,35)(H,36,37)/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
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50064343
((3S,5R,13S)-13-Methylcarbamoyl-2,7-dioxo-3-pheneth...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)C[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C21H30N4O5/c1-22-19(27)15-9-5-6-12-23-18(26)13-17(21(29)30)24-16(20(28)25-15)11-10-14-7-3-2-4-8-14/h2-4,7-8,15-17,24H,5-6,9-13H2,1H3,(H,22,27)(H,23,26)(H,25,28)(H,29,30)/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
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50064344
((3S,5R,14S)-14-(methylcarbamoyl)-2,8-dioxo-3-phene...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)/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
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50064342
((R)-2-[(S)-1-((S)-5-Acetylamino-1-methylcarbamoyl-...)Show SMILES CNC(=O)CC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)NC)C(O)=O Show InChI InChI=1S/C25H39N5O6/c1-17(31)28-16-8-7-11-19(23(33)27-3)30-24(34)20(13-12-18-9-5-4-6-10-18)29-21(25(35)36)14-15-22(32)26-2/h4-6,9-10,19-21,29H,7-8,11-16H2,1-3H3,(H,26,32)(H,27,33)(H,28,31)(H,30,34)(H,35,36)/t19-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50064346
((8R,10S,13S)-13-Methylcarbamoyl-5,11,16-trioxo-10-...)Show SMILES CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C23H32N4O7/c1-24-21(30)16-10-12-20(29)34-14-13-25-19(28)11-9-18(23(32)33)26-17(22(31)27-16)8-7-15-5-3-2-4-6-15/h2-6,16-18,26H,7-14H2,1H3,(H,24,30)(H,25,28)(H,27,31)(H,32,33)/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
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50064346
((8R,10S,13S)-13-Methylcarbamoyl-5,11,16-trioxo-10-...)Show SMILES CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C23H32N4O7/c1-24-21(30)16-10-12-20(29)34-14-13-25-19(28)11-9-18(23(32)33)26-17(22(31)27-16)8-7-15-5-3-2-4-6-15/h2-6,16-18,26H,7-14H2,1H3,(H,24,30)(H,25,28)(H,27,31)(H,32,33)/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
| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50064344
((3S,5R,14S)-14-(methylcarbamoyl)-2,8-dioxo-3-phene...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)/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
| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50064344
((3S,5R,14S)-14-(methylcarbamoyl)-2,8-dioxo-3-phene...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)/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
| 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-2 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50064346
((8R,10S,13S)-13-Methylcarbamoyl-5,11,16-trioxo-10-...)Show SMILES CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C23H32N4O7/c1-24-21(30)16-10-12-20(29)34-14-13-25-19(28)11-9-18(23(32)33)26-17(22(31)27-16)8-7-15-5-3-2-4-6-15/h2-6,16-18,26H,7-14H2,1H3,(H,24,30)(H,25,28)(H,27,31)(H,32,33)/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
| 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-1 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50064343
((3S,5R,13S)-13-Methylcarbamoyl-2,7-dioxo-3-pheneth...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)C[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C21H30N4O5/c1-22-19(27)15-9-5-6-12-23-18(26)13-17(21(29)30)24-16(20(28)25-15)11-10-14-7-3-2-4-8-14/h2-4,7-8,15-17,24H,5-6,9-13H2,1H3,(H,22,27)(H,23,26)(H,25,28)(H,29,30)/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
| 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-9 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50064344
((3S,5R,14S)-14-(methylcarbamoyl)-2,8-dioxo-3-phene...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)/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
| 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50064342
((R)-2-[(S)-1-((S)-5-Acetylamino-1-methylcarbamoyl-...)Show SMILES CNC(=O)CC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)NC)C(O)=O Show InChI InChI=1S/C25H39N5O6/c1-17(31)28-16-8-7-11-19(23(33)27-3)30-24(34)20(13-12-18-9-5-4-6-10-18)29-21(25(35)36)14-15-22(32)26-2/h4-6,9-10,19-21,29H,7-8,11-16H2,1-3H3,(H,26,32)(H,27,33)(H,28,31)(H,30,34)(H,35,36)/t19-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50064343
((3S,5R,13S)-13-Methylcarbamoyl-2,7-dioxo-3-pheneth...)Show SMILES CNC(=O)[C@@H]1CCCCNC(=O)C[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C21H30N4O5/c1-22-19(27)15-9-5-6-12-23-18(26)13-17(21(29)30)24-16(20(28)25-15)11-10-14-7-3-2-4-8-14/h2-4,7-8,15-17,24H,5-6,9-13H2,1H3,(H,22,27)(H,23,26)(H,25,28)(H,29,30)/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
| 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloproteinase-3 |
J Med Chem 41: 1749-51 (1998)
Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX |
More data for this
Ligand-Target Pair | |
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