Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50167275'   

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))	BDBM50167275 (CHEMBL3798249) Show SMILES Clc1ccc2c(c1)n(-c1cccnc1)c1cn[nH]c21 Show InChI InChI=1S/C14H9ClN4/c15-9-3-4-11-12(6-9)19(10-2-1-5-16-7-10)13-8-17-18-14(11)13/h1-8H,(H,17,18)	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	63	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha				Bioorg Med Chem Lett 26: 2779-2783 (2016) Article DOI: 10.1016/j.bmcl.2016.04.072 BindingDB Entry DOI: 10.7270/Q29P33K9
					More data for this Ligand-Target Pair