Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50241249'   

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))	BDBM50241249 (((4-phenoxy-benzenesulfonyl)-{[2-(4sulfamoyl-pheny...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(O)=O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C24H25N3O8S2/c25-36(31,32)21-10-6-18(7-11-21)14-15-26-23(28)16-27(17-24(29)30)37(33,34)22-12-8-20(9-13-22)35-19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,29,30)(H2,25,31,32)	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	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Superior Técnico Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 transfected in mouse melanoma cells				J Med Chem 51: 7968-79 (2008) Article DOI: 10.1021/jm800964f BindingDB Entry DOI: 10.7270/Q2XK8FDN
					More data for this Ligand-Target Pair