Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50156231'   

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))	BDBM50156231 (CHEMBL3781112) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H14FN3/c1-13-9-10-21-11-17(13)16-3-2-4-19-18(16)12-22-23(19)15-7-5-14(20)6-8-15/h2-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair