Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50081783'   

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))	BDBM50081783 (CHEMBL420447 | N-sec-Butyl-2-[1-butyl-3-(4-phenoxy...) Show SMILES CCCCN(CC(=O)N(CC(=O)NO)C(C)CC)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H34N4O5/c1-4-6-16-28(18-24(31)29(19(3)5-2)17-23(30)27-33)25(32)26-20-12-14-22(15-13-20)34-21-10-8-7-9-11-21/h7-15,19,33H,4-6,16-18H2,1-3H3,(H,26,32)(H,27,30)	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	5.40E+4	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
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