Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50013136'   

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))	BDBM50013136 (N-(Ethylphosphoryl)-L-isoleucyl-L-Tyr(OMe)-NHCH3) Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OC)cc1)C(=O)NC Show InChI InChI=1S/C19H32N3O6P/c1-6-13(3)17(22-29(25,26)28-7-2)19(24)21-16(18(23)20-4)12-14-8-10-15(27-5)11-9-14/h8-11,13,16-17H,6-7,12H2,1-5H3,(H,20,23)(H,21,24)(H2,22,25,26)/p-1/t13-,16?,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.10E+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
					More data for this Ligand-Target Pair