Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2J2' and Ligand = 'BDBM25764'   

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 P450 2J2 (Homo sapiens (Human))	BDBM25764 (ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...) Show SMILES CC(C)NCC(O)COc1ccccc1CC=C Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
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