Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 431.9 BDBM50429983

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 (Rattus norvegicus (Rat))	BDBM50429983 (CHEMBL2334633) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCCC1CC1 Show InChI InChI=1S/C25H22ClN3O2/c26-20-3-1-2-4-23(20)31-19-10-7-17(8-11-19)24-28-21-12-9-18(15-22(21)29-24)25(30)27-14-13-16-5-6-16/h1-4,7-12,15-16H,5-6,13-14H2,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	966	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429983 (CHEMBL2334633) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCCC1CC1 Show InChI InChI=1S/C25H22ClN3O2/c26-20-3-1-2-4-23(20)31-19-10-7-17(8-11-19)24-28-21-12-9-18(15-22(21)29-24)25(30)27-14-13-16-5-6-16/h1-4,7-12,15-16H,5-6,13-14H2,(H,27,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair