Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50081798'   

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))	BDBM50081798 (CHEMBL418779 | N-Benzyl-2-[1-cyclohexylmethyl-3-(4...) Show SMILES ONC(=O)CN(Cc1ccccc1)C(=O)CN(CC1CCCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C31H36N4O5/c36-29(33-39)22-34(20-24-10-4-1-5-11-24)30(37)23-35(21-25-12-6-2-7-13-25)31(38)32-26-16-18-28(19-17-26)40-27-14-8-3-9-15-27/h1,3-5,8-11,14-19,25,39H,2,6-7,12-13,20-23H2,(H,32,38)(H,33,36)	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	1.25E+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
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