Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50081782'   

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))	BDBM50081782 (2-(1-Benzyl-3-naphthalen-1-yl-ureido)-N-sec-butyl-...) Show SMILES CCC(C)N(CC(=O)NO)C(=O)CN(Cc1ccccc1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C26H30N4O4/c1-3-19(2)30(17-24(31)28-34)25(32)18-29(16-20-10-5-4-6-11-20)26(33)27-23-15-9-13-21-12-7-8-14-22(21)23/h4-15,19,34H,3,16-18H2,1-2H3,(H,27,33)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.10E+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