Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50499432'   

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))	BDBM50499432 (CHEMBL3741595) Show SMILES [H][C@@]12CN(CC(C)(C)F)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r| Show InChI InChI=1S/C21H29FN4O/c1-13(2)19-24-18(17-7-5-6-8-26(17)19)20(27)23-9-14-15-10-25(11-16(14)15)12-21(3,4)22/h5-8,13-16H,9-12H2,1-4H3,(H,23,27)/t14-,15-,16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 2 mins by LC-MS/MS analysis in presence of NADPH regeneration syste...				Eur J Med Chem 103: 289-301 (2015) Article DOI: 10.1016/j.ejmech.2015.08.051 BindingDB Entry DOI: 10.7270/Q20C4ZST
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