Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50127865'   

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))	BDBM50127865 (4-Methyl-2-((R)-2-oxo-2-pyridin-2-yl-ethyl)-pentan...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)c1ccccn1 Show InChI InChI=1S/C25H30N4O3/c1-16(2)12-17(14-23(30)21-10-6-7-11-27-21)24(31)29-22(25(32)26-3)13-18-15-28-20-9-5-4-8-19(18)20/h4-11,15-17,22,28H,12-14H2,1-3H3,(H,26,32)(H,29,31)/t17-,22+/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	180	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