Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50019652'   

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))	BDBM50019652 (CHEMBL3109801) Show SMILES COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(C)cc23)c1C Show InChI InChI=1S/C18H20FN5O2/c1-11-6-15-16(21-7-11)13(17(25)20-5-4-19)8-24(15)9-14-12(2)18(26-3)23-10-22-14/h6-8,10H,4-5,9H2,1-3H3,(H,20,25)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 57: 5728-37 (2014) Article DOI: 10.1021/jm500571f BindingDB Entry DOI: 10.7270/Q2NS0WHX
					More data for this Ligand-Target Pair