Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50311759'   

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))	BDBM50311759 (1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCCC1=O Show InChI InChI=1S/C22H26N4O/c1-13-7-5-8-14(2)18(13)12-23-22-21-17(15(3)16(4)24-21)11-19(25-22)26-10-6-9-20(26)27/h5,7-8,11,24H,6,9-10,12H2,1-4H3,(H,23,25)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using diethoxyfluorescein substrate				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50311759 (1-(7-(2,6-dimethylbenzylamino)-2,3-dimethyl-1H-pyr...) Show SMILES Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCCC1=O Show InChI InChI=1S/C22H26N4O/c1-13-7-5-8-14(2)18(13)12-23-22-21-17(15(3)16(4)24-21)11-19(25-22)26-10-6-9-20(26)27/h5,7-8,11,24H,6,9-10,12H2,1-4H3,(H,23,25)	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using 7-benzyloxyquinoline substrate				Bioorg Med Chem Lett 19: 6813-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.002 BindingDB Entry DOI: 10.7270/Q2MC9046
					More data for this Ligand-Target Pair