Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50367933'   

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))	BDBM50367933 (CHEMBL1744402) Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)NCC([O-])=O |r| Show InChI InChI=1S/C28H39N4O9P/c1-4-19(3)26(32-42(38,39)41-5-2)28(37)31-23(27(36)30-17-25(34)35)15-20-11-13-22(14-12-20)40-18-24(33)29-16-21-9-7-6-8-10-21/h6-14,19,23,26H,4-5,15-18H2,1-3H3,(H,29,33)(H,30,36)(H,31,37)(H,34,35)(H2,32,38,39)/p-2/t19-,23?,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+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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