Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50081795'   

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))	BDBM50081795 (CHEMBL93768 | N-sec-Butyl-N-hydroxycarbamoylmethyl...) Show SMILES CCC(C)N(CC(=O)NO)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H36N4O5/c1-3-23(2)34(21-28(35)32-38)29(36)22-33(20-10-13-24-11-6-4-7-12-24)30(37)31-25-16-18-27(19-17-25)39-26-14-8-5-9-15-26/h4-9,11-12,14-19,23,38H,3,10,13,20-22H2,1-2H3,(H,31,37)(H,32,35)	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	3.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloproteinase-2 (MMP-2).				Bioorg Med Chem Lett 9: 2823-6 (1999) BindingDB Entry DOI: 10.7270/Q2PG1QXT
					More data for this Ligand-Target Pair