Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 452.4 BDBM50301063

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))	BDBM50301063 (CHEMBL584308 | N-(2-cyclopropylethyl)-2-(4-(2-(tri...) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1nc(cs1)C(=O)NCCC1CC1 Show InChI InChI=1S/C21H23F3N4O2S/c22-21(23,24)16-4-2-1-3-15(16)19(30)27-9-11-28(12-10-27)20-26-17(13-31-20)18(29)25-8-7-14-5-6-14/h1-4,13-14H,5-12H2,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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 SCD1 in rat liver microsomes assessed as formation of oleoyl-CoA from 9,10-3H-steroyl-CoA				Bioorg Med Chem Lett 19: 5214-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.015 BindingDB Entry DOI: 10.7270/Q2V9884M
					More data for this Ligand-Target Pair