Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome c oxidase subunit 2' and Ligand = 'BDBM50462392'   

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 (Homo sapiens (Human))	BDBM50462392 (CHEMBL4248154) Show SMILES Oc1nnn(Cc2ccc(OC(F)(F)F)cc2)c1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H12F6N4O3/c19-17(20,21)11-2-1-3-12(8-11)25-15(29)14-16(30)26-27-28(14)9-10-4-6-13(7-5-10)31-18(22,23)24/h1-8,30H,9H2,(H,25,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
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