Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 550.0 BDBM50356896

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50356896 (CHEMBL1915546) Show SMILES OC(=O)Cn1nnc(n1)-c1cn(CCCc2cc(Br)c(Br)c(Br)c2)nn1 Show InChI InChI=1S/C14H12Br3N7O2/c15-9-4-8(5-10(16)13(9)17)2-1-3-23-6-11(18-21-23)14-19-22-24(20-14)7-12(25)26/h4-6H,1-3,7H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	911	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat SCD by rat microsomal assay				Bioorg Med Chem Lett 21: 6505-9 (2011) Article DOI: 10.1016/j.bmcl.2011.08.073 BindingDB Entry DOI: 10.7270/Q2VQ332W
					More data for this Ligand-Target Pair