Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50390234'   

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 1A2 (Homo sapiens (Human))	BDBM50390234 (CHEMBL2070155) Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccn1)-c1ccccc1 Show InChI InChI=1S/C20H17N3O2S/c1-2-26(24,25)16-8-9-17-18(13-16)23-20(22-17)19-12-15(10-11-21-19)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 22: 5498-502 (2012) Article DOI: 10.1016/j.bmcl.2012.07.020 BindingDB Entry DOI: 10.7270/Q2251K8Z
					More data for this Ligand-Target Pair