Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50393260'   

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))	BDBM50393260 (CHEMBL2152011) Show SMILES CN(C)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O/c1-27(2)19-14-12-18(13-15-19)25-24(28)21-16-23(17-8-4-3-5-9-17)26-22-11-7-6-10-20(21)22/h3-16H,1-2H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+4	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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