Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50393259'   

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 3A4 (Homo sapiens (Human))	BDBM50393259 (CHEMBL2152010) Show SMILES COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C23H18N2O2/c1-27-18-13-11-17(12-14-18)24-23(26)20-15-22(16-7-3-2-4-8-16)25-21-10-6-5-9-19(20)21/h2-15H,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 NF-14 expressed in Escherichia coli assessed as formation of 6-beta-hydroxytestosterone using testosterone as substr...				J Med Chem 55: 280-90 (2012) Article DOI: 10.1021/jm201207h BindingDB Entry DOI: 10.7270/Q2251K9D
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