Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50350047'   

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))	BDBM50350047 (CHEMBL1813459) Show SMILES CCCCN1C(=O)C(NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)C(C)C Show InChI InChI=1S/C28H37N3O3/c1-4-5-17-31-26(32)25(21(2)3)29-27(33)28(31)15-18-30(19-16-28)20-22-11-13-24(14-12-22)34-23-9-7-6-8-10-23/h6-14,21,25H,4-5,15-20H2,1-3H3,(H,29,33)	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	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem 19: 4028-42 (2011) Article DOI: 10.1016/j.bmc.2011.05.022 BindingDB Entry DOI: 10.7270/Q2H70G5Q
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