Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50246682'   

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))	BDBM50246682 (CHEMBL499426 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r| Show InChI InChI=1S/C35H51N5O5S/c1-20(2)14-25(34(42)38-31(35(43)36-9)17-26-19-37-30-13-11-10-12-27(26)30)18-32(41)39-40-46(44,45)33-28(22(5)6)15-24(21(3)4)16-29(33)23(7)8/h10-13,15-16,19-23,25,31,37,40H,14,17-18H2,1-9H3,(H,36,43)(H,38,42)(H,39,41)/t25-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human recombinant pro-MMP2 by spectrofluorimeter				Bioorg Med Chem 16: 8745-59 (2008) Article DOI: 10.1016/j.bmc.2008.07.041 BindingDB Entry DOI: 10.7270/Q2R49QM0
					More data for this Ligand-Target Pair