Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50172121'   

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))	BDBM50172121 (2-{[3-(pyridin-4-ylthio)cyclohex-1-en-1-yl]ethynyl...) Show SMILES C1CC(Sc2ccncc2)C=C(C1)C#Cc1ccccn1 |c:11| Show InChI InChI=1S/C18H16N2S/c1-2-11-20-16(5-1)8-7-15-4-3-6-18(14-15)21-17-9-12-19-13-10-17/h1-2,5,9-14,18H,3-4,6H2	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	505	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against CYP1A2 using recombinant CYP450 under Gentest-based protocol				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair