Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50268936'   

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))	BDBM50268936 (3-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cnccc1=O Show InChI InChI=1S/C22H23N5O/c1-14-6-5-7-15(2)19(14)11-24-20-10-18(27-13-23-9-8-21(27)28)12-26-17(4)16(3)25-22(20)26/h5-10,12-13,24H,11H2,1-4H3	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50268936 (3-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo...) Show SMILES Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cnccc1=O Show InChI InChI=1S/C22H23N5O/c1-14-6-5-7-15(2)19(14)11-24-20-10-18(27-13-23-9-8-21(27)28)12-26-17(4)16(3)25-22(20)26/h5-10,12-13,24H,11H2,1-4H3	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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using 7-benzyloxyquinoline as substrate				Bioorg Med Chem Lett 19: 3602-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.127 BindingDB Entry DOI: 10.7270/Q2RX9BZV
					More data for this Ligand-Target Pair