Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50367922'   

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))	BDBM50367922 (CHEMBL1744412) Show SMILES CCOP(O)(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCC(=O)NC(CCCCN)C([O-])=O)cc1)C(=O)NCC([O-])=O |r| Show InChI InChI=1S/C27H44N5O11P/c1-4-17(3)24(32-44(40,41)43-5-2)26(37)31-21(25(36)29-15-23(34)35)14-18-9-11-19(12-10-18)42-16-22(33)30-20(27(38)39)8-6-7-13-28/h9-12,17,20-21,24H,4-8,13-16,28H2,1-3H3,(H,29,36)(H,30,33)(H,31,37)(H,34,35)(H,38,39)(H2,32,40,41)/p-2/t17-,20?,21?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+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 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
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