Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.5 BDBM50343286

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

Found 2 hits 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)	BDBM50343286 (CHEMBL1774090 | N-(2-hydroxy-2-phenylethyl)-6-(4-o...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CC(=O)Nc1ccccc1O2)c1ccccc1 Show InChI InChI=1S/C26H27N5O4/c32-21(18-6-2-1-3-7-18)17-27-25(34)20-10-11-23(30-29-20)31-14-12-26(13-15-31)16-24(33)28-19-8-4-5-9-22(19)35-26/h1-11,21,32H,12-17H2,(H,27,34)(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of mouse liver microsome SCD1				Eur J Med Chem 46: 1892-6 (2011) Article DOI: 10.1016/j.ejmech.2011.02.002 BindingDB Entry DOI: 10.7270/Q25T3KTC
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50343286 (CHEMBL1774090 | N-(2-hydroxy-2-phenylethyl)-6-(4-o...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CC(=O)Nc1ccccc1O2)c1ccccc1 Show InChI InChI=1S/C26H27N5O4/c32-21(18-6-2-1-3-7-18)17-27-25(34)20-10-11-23(30-29-20)31-14-12-26(13-15-31)16-24(33)28-19-8-4-5-9-22(19)35-26/h1-11,21,32H,12-17H2,(H,27,34)(H,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human liver microsome SCD1				Eur J Med Chem 46: 1892-6 (2011) Article DOI: 10.1016/j.ejmech.2011.02.002 BindingDB Entry DOI: 10.7270/Q25T3KTC
					More data for this Ligand-Target Pair