Found 6 hits for monomerid = 50101514 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50101514
((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...)Show SMILES ONC(=O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H39N3O4/c33-27(32-36)21-25(17-16-22-10-4-1-5-11-22)28(34)31-26(20-24-14-8-3-9-15-24)29(35)30-19-18-23-12-6-2-7-13-23/h1-2,4-7,10-13,24-26,36H,3,8-9,14-21H2,(H,30,35)(H,31,34)(H,32,33)/t25-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of the gelatinase-A enzyme. |
Bioorg Med Chem Lett 4: 2741-2746 (1994)
Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50101514
((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...)Show SMILES ONC(=O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H39N3O4/c33-27(32-36)21-25(17-16-22-10-4-1-5-11-22)28(34)31-26(20-24-14-8-3-9-15-24)29(35)30-19-18-23-12-6-2-7-13-23/h1-2,4-7,10-13,24-26,36H,3,8-9,14-21H2,(H,30,35)(H,31,34)(H,32,33)/t25-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibitory constant against matrix metalloproteinase-2 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50101514
((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...)Show SMILES ONC(=O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H39N3O4/c33-27(32-36)21-25(17-16-22-10-4-1-5-11-22)28(34)31-26(20-24-14-8-3-9-15-24)29(35)30-19-18-23-12-6-2-7-13-23/h1-2,4-7,10-13,24-26,36H,3,8-9,14-21H2,(H,30,35)(H,31,34)(H,32,33)/t25-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibitory constant against matrix metalloproteinase-3 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50101514
((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...)Show SMILES ONC(=O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H39N3O4/c33-27(32-36)21-25(17-16-22-10-4-1-5-11-22)28(34)31-26(20-24-14-8-3-9-15-24)29(35)30-19-18-23-12-6-2-7-13-23/h1-2,4-7,10-13,24-26,36H,3,8-9,14-21H2,(H,30,35)(H,31,34)(H,32,33)/t25-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of the stromelysin enzyme. |
Bioorg Med Chem Lett 4: 2741-2746 (1994)
Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50101514
((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...)Show SMILES ONC(=O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H39N3O4/c33-27(32-36)21-25(17-16-22-10-4-1-5-11-22)28(34)31-26(20-24-14-8-3-9-15-24)29(35)30-19-18-23-12-6-2-7-13-23/h1-2,4-7,10-13,24-26,36H,3,8-9,14-21H2,(H,30,35)(H,31,34)(H,32,33)/t25-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 618 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of the collagenase enzyme. |
Bioorg Med Chem Lett 4: 2741-2746 (1994)
Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50101514
((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...)Show SMILES ONC(=O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H39N3O4/c33-27(32-36)21-25(17-16-22-10-4-1-5-11-22)28(34)31-26(20-24-14-8-3-9-15-24)29(35)30-19-18-23-12-6-2-7-13-23/h1-2,4-7,10-13,24-26,36H,3,8-9,14-21H2,(H,30,35)(H,31,34)(H,32,33)/t25-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 618 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibitory constant against matrix metalloproteinase-1 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this Ligand-Target Pair | |