Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome c oxidase subunit 2' and Ligand = 'BDBM50326829'   

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
Cytochrome c oxidase subunit 2 (Ovis aries)	BDBM50326829 (6-benzoyl-2-(4-(methylsulfonyl)phenyl)quinoline-4-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2cc(ccc2n1)C(=O)c1ccccc1 Show InChI InChI=1S/C24H17NO5S/c1-31(29,30)18-10-7-15(8-11-18)22-14-20(24(27)28)19-13-17(9-12-21(19)25-22)23(26)16-5-3-2-4-6-16/h2-14H,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of sheep COX2				Bioorg Med Chem 18: 5855-60 (2010) Article DOI: 10.1016/j.bmc.2010.06.094 BindingDB Entry DOI: 10.7270/Q23J3D6V
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