Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 458.5 BDBM50306109

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 (Mus musculus)	BDBM50306109 (CHEMBL594061 | N-(2-hydroxy-2-phenylethyl)-6-(3-ox...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)Oc1ccccc1CC2=O)c1ccccc1 Show InChI InChI=1S/C26H26N4O4/c31-21(18-6-2-1-3-7-18)17-27-25(33)20-10-11-24(29-28-20)30-14-12-26(13-15-30)23(32)16-19-8-4-5-9-22(19)34-26/h1-11,21,31H,12-17H2,(H,27,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins				Bioorg Med Chem Lett 20: 746-54 (2010) Article DOI: 10.1016/j.bmcl.2009.11.043 BindingDB Entry DOI: 10.7270/Q28C9WBJ
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