Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50365585'   

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))	BDBM50365585 (CHEMBL1957816) Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3ccnc23)c(F)c1 Show InChI InChI=1S/C20H20F2N4O/c21-16-4-3-15(18(22)14-16)5-8-24-10-12-26(13-11-24)20(27)17-2-1-7-25-9-6-23-19(17)25/h1-4,6-7,9,14H,5,8,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				Bioorg Med Chem Lett 22: 1870-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.080 BindingDB Entry DOI: 10.7270/Q2XP75D0
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