Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50342189'   

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))	BDBM50342189 ((R)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-meth...) Show SMILES CC(C)[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r| Show InChI InChI=1S/C20H22N4O2/c1-13(2)20(26,18-11-21-12-22-18)16-9-7-15(8-10-16)17-5-4-6-19(24-17)23-14(3)25/h4-13,26H,1-3H3,(H,21,22)(H,23,24,25)/t20-/m1/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 after 30 mins				Bioorg Med Chem 19: 2428-42 (2011) Article DOI: 10.1016/j.bmc.2011.02.009 BindingDB Entry DOI: 10.7270/Q2FJ2H3G
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