Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50448435'   

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 (Rattus norvegicus)	BDBM50448435 (CHEMBL3122088) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Khon Kaen University Curated by ChEMBL					Assay Description Competitive inhibition of rat recombinant CYP1A2 expressed in Escherichia coli assessed as inhibition of PHEN O-deethylation by dixon plot analysis				Drug Metab Dispos 40: 982-9 (2012) Article DOI: 10.1124/dmd.111.044057 BindingDB Entry DOI: 10.7270/Q2MS3VGW
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