Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50364656'   

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))	BDBM50364656 (CHEMBL1951446) Show SMILES Nc1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1 Show InChI InChI=1S/C25H20N6O/c26-19-7-1-16(2-8-19)17-3-9-20(10-4-17)30-25(32)31-21-11-5-18(6-12-21)22-13-14-27-24-23(22)28-15-29-24/h1-15H,26H2,(H,27,28,29)(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis				Bioorg Med Chem Lett 22: 1611-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.125 BindingDB Entry DOI: 10.7270/Q2T72HXJ
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