Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM25447'   

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))	BDBM25447 (4-[6-(4-methoxyphenyl)-1H-inden-3-yl]pyridine | Ab...) Show SMILES COc1ccc(cc1)-c1ccc2C(=CCc2c1)c1ccncc1 |c:13| Show InChI InChI=1S/C21H17NO/c1-23-19-6-2-15(3-7-19)17-4-8-21-18(14-17)5-9-20(21)16-10-12-22-13-11-16/h2-4,6-14H,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description To measure CYP3A4 activity, the product of testosterone 6-hydroxylation, 6beta-hydroxytestosterone was determined. After incubation, the reaction was...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
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