Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.4 BDBM50301060

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))	BDBM50301060 (CHEMBL572306 | N-(2-cyclopropyl-2-hydroxyethyl)-6-...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F)C1CC1 Show InChI InChI=1S/C22H24F3N5O3/c23-22(24,25)16-4-2-1-3-15(16)21(33)30-11-9-29(10-12-30)19-8-7-17(27-28-19)20(32)26-13-18(31)14-5-6-14/h1-4,7-8,14,18,31H,5-6,9-13H2,(H,26,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	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