Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50420839'   

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))	BDBM50420839 (CHEMBL2086687) Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)C(=O)OCC(F)(F)F |r| Show InChI InChI=1S/C19H19F3N6O3/c1-13-10-27(18(29)31-12-19(20,21)22)4-5-28(13)17-25-8-16(9-26-17)30-11-14-2-3-24-7-15(14)6-23/h2-3,7-9,13H,4-5,10-12H2,1H3/t13-/m1/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 23: 3175-9 (2013) Article DOI: 10.1016/j.bmcl.2013.04.006 BindingDB Entry DOI: 10.7270/Q25Q4XGC
					More data for this Ligand-Target Pair