Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50246798'   

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))	BDBM50246798 (CHEMBL452947 | 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)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C32H37N5O6S/c1-21(2)17-22(31(39)35-29(32(40)33-3)18-23-20-34-28-12-8-7-11-27(23)28)19-30(38)36-37-44(41,42)26-15-13-25(14-16-26)43-24-9-5-4-6-10-24/h4-16,20-22,29,34,37H,17-19H2,1-3H3,(H,33,40)(H,35,39)(H,36,38)/t22-,29+/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	45	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