Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50343065'   

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))	BDBM50343065 (4-(4-(5-(4-(dimethylamino)phenylamino)-5-oxopentyl...) Show SMILES CN(C)c1ccc(NC(=O)CCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1 Show InChI InChI=1S/C25H33N3O7S/c1-28(2)20-8-6-19(7-9-20)26-23(29)5-3-4-16-35-21-10-12-22(13-11-21)36(32,33)25(24(30)27-31)14-17-34-18-15-25/h6-13,31H,3-5,14-18H2,1-2H3,(H,26,29)(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP2				Bioorg Med Chem Lett 21: 2823-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.095 BindingDB Entry DOI: 10.7270/Q2CF9QD0
					More data for this Ligand-Target Pair