Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50263682'   

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))	BDBM50263682 (4-Fluoro-N-{[(2-fluoro-6,11-dihydro-dibenzo[b,e]ox...) Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12 Show InChI InChI=1S/C24H20F2N2O3/c25-17-7-5-15(6-8-17)24(30)28-13-23(29)27-12-21-19-4-2-1-3-16(19)14-31-22-10-9-18(26)11-20(21)22/h1-11,21H,12-14H2,(H,27,29)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 18: 5533-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.005 BindingDB Entry DOI: 10.7270/Q2BR8S19
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