Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2A6' and Ligand = 'BDBM50499781'   

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 2A6 (Homo sapiens (Human))	BDBM50499781 (CHEMBL3742302) Show SMILES Brc1ccc2oc(=O)c(cc2c1)-c1csc(n1)-n1cc(C=O)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H12BrN3O3S/c23-16-6-7-19-14(8-16)9-17(21(28)29-19)18-12-30-22(24-18)26-10-15(11-27)20(25-26)13-4-2-1-3-5-13/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human microsomal CYP2A6				Bioorg Med Chem Lett 25: 5797-803 (2015) Article DOI: 10.1016/j.bmcl.2015.10.042 BindingDB Entry DOI: 10.7270/Q2J67KXF
					More data for this Ligand-Target Pair