Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50367932'   

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))	BDBM50367932 (CHEMBL1744403) Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1)C(=O)NCC([O-])=O |r| Show InChI InChI=1S/C26H34Cl2N3O8P/c1-4-16(3)24(31-40(36,37)39-5-2)26(35)30-22(25(34)29-14-23(32)33)12-17-6-8-21(9-7-17)38-15-18-10-19(27)13-20(28)11-18/h6-11,13,16,22,24H,4-5,12,14-15H2,1-3H3,(H,29,34)(H,30,35)(H,32,33)(H2,31,36,37)/p-2/t16-,22?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Kentucky Curated by ChEMBL					Assay Description Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.				J Med Chem 33: 263-73 (1990) BindingDB Entry DOI: 10.7270/Q2J9670V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50367932 (CHEMBL1744403) Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1)C(=O)NCC([O-])=O |r| Show InChI InChI=1S/C26H34Cl2N3O8P/c1-4-16(3)24(31-40(36,37)39-5-2)26(35)30-22(25(34)29-14-23(32)33)12-17-6-8-21(9-7-17)38-15-18-10-19(27)13-20(28)11-18/h6-11,13,16,22,24H,4-5,12,14-15H2,1-3H3,(H,29,34)(H,30,35)(H,32,33)(H2,31,36,37)/p-2/t16-,22?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of human skin fibroblast Collagenase at pH 7.5				J Med Chem 33: 263-73 (1990) BindingDB Entry DOI: 10.7270/Q2J9670V
					More data for this Ligand-Target Pair