Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50096647'   

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))	BDBM50096647 (2-(Biphenyl-4-yloxymethyl)-4-(1,3-dioxo-1,3-dihydr...) Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2C1=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H22N2O5/c28-23(26-31)19(14-15-27-24(29)21-8-4-5-9-22(21)25(27)30)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,28)	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	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 295-9 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KD9
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