Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 410.4 BDBM50354684

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))	BDBM50354684 (CHEMBL1834442) Show SMILES Cc1nc2nc(sc2c(=O)[nH]1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-10-22-15-14(16(26)23-10)28-17(24-15)25-8-6-11(7-9-25)27-13-5-3-2-4-12(13)18(19,20)21/h2-5,11H,6-9H2,1H3,(H,22,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	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 rat SCD1 in rat liver microsome				Bioorg Med Chem Lett 21: 5692-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.037 BindingDB Entry DOI: 10.7270/Q2W959K1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50354684 (CHEMBL1834442) Show SMILES Cc1nc2nc(sc2c(=O)[nH]1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-10-22-15-14(16(26)23-10)28-17(24-15)25-8-6-11(7-9-25)27-13-5-3-2-4-12(13)18(19,20)21/h2-5,11H,6-9H2,1H3,(H,22,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	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 human HepG2 cells				Bioorg Med Chem Lett 21: 5692-6 (2011) Article DOI: 10.1016/j.bmcl.2011.08.037 BindingDB Entry DOI: 10.7270/Q2W959K1
					More data for this Ligand-Target Pair