Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50127866'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50127866 (4-Methyl-2-[(R)-2-oxo-2-(1H-pyrrol-2-yl)-ethyl]-pe...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)c1ccc[nH]1 Show InChI InChI=1S/C24H30N4O3/c1-15(2)11-16(13-22(29)20-9-6-10-26-20)23(30)28-21(24(31)25-3)12-17-14-27-19-8-5-4-7-18(17)19/h4-10,14-16,21,26-27H,11-13H2,1-3H3,(H,25,31)(H,28,30)/t16-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-2				Bioorg Med Chem Lett 13: 1783-6 (2003) BindingDB Entry DOI: 10.7270/Q2WH2PCT
					More data for this Ligand-Target Pair