Found 3 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50071838' 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 |
Collagenase 3
(Homo sapiens (Human)) | BDBM50071838
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-[...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C18H27N3O7S/c1-18(2,3)28-17(23)20-10-5-11-21(15(12-20)16(22)19-24)29(25,26)14-8-6-13(27-4)7-9-14/h6-9,15,24H,5,10-12H2,1-4H3,(H,19,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of matrix metalloprotease-13 (MMP-13) |
Bioorg Med Chem Lett 8: 2657-62 (1999)
BindingDB Entry DOI: 10.7270/Q28K79KZ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50071838
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-[...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C18H27N3O7S/c1-18(2,3)28-17(23)20-10-5-11-21(15(12-20)16(22)19-24)29(25,26)14-8-6-13(27-4)7-9-14/h6-9,15,24H,5,10-12H2,1-4H3,(H,19,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50071838
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-[...)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)OC(C)(C)C Show InChI InChI=1S/C18H27N3O7S/c1-18(2,3)28-17(23)20-10-5-11-21(15(12-20)16(22)19-24)29(25,26)14-8-6-13(27-4)7-9-14/h6-9,15,24H,5,10-12H2,1-4H3,(H,19,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem 15: 2223-68 (2007)
Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD |
More data for this Ligand-Target Pair | |