Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50387863'   

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))	BDBM50387863 (CHEMBL2057789) Show SMILES CCNc1nc2ccc(cc2o1)C(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)CC(C)(C)O |r| Show InChI InChI=1S/C29H35N5O6S/c1-4-31-27-32-22-11-10-20(13-25(22)40-27)26(36)34(17-29(2,3)38)15-24(35)23(12-19-8-6-5-7-9-19)33-28(37)39-16-21-14-30-18-41-21/h5-11,13-14,18,23-24,35,38H,4,12,15-17H2,1-3H3,(H,31,32)(H,33,37)/t23-,24+/m0/s1	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	97	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by LC/MS/MS analysis				Bioorg Med Chem Lett 22: 4998-5002 (2012) Article DOI: 10.1016/j.bmcl.2012.06.022 BindingDB Entry DOI: 10.7270/Q22Z16KC
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