Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 516.5 BDBM50425258

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))	BDBM50425258 (CHEMBL2315181) Show SMILES CNC(=O)c1cnc(s1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2 Show InChI InChI=1S/C26H27F3N4O2S/c1-30-23(34)22-16-31-24(36-22)32-12-9-25(10-13-32)11-14-33(20-7-2-3-8-21(20)35-25)17-18-5-4-6-19(15-18)26(27,28)29/h2-8,15-16H,9-14,17H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat SCD1 by rat microsomal assay				Bioorg Med Chem Lett 23: 791-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.075 BindingDB Entry DOI: 10.7270/Q26H4JQ6
					More data for this Ligand-Target Pair