Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM181116'   

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))	BDBM181116 (US9138393, Piperine | US9144538, Piperine) Show SMILES CCCN(CC)C(=O)\C=C\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C17H21NO3/c1-3-11-18(4-2)17(19)8-6-5-7-14-9-10-15-16(12-14)21-13-20-15/h5-10,12H,3-4,11,13H2,1-2H3/b7-5+,8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...				US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM181116 (US9138393, Piperine | US9144538, Piperine) Show SMILES CCCN(CC)C(=O)\C=C\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C17H21NO3/c1-3-11-18(4-2)17(19)8-6-5-7-14-9-10-15-16(12-14)21-13-20-15/h5-10,12H,3-4,11,13H2,1-2H3/b7-5+,8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...				US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J
					More data for this Ligand-Target Pair