Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.4 BDBM50443725

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

Found 3 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))	BDBM50443725 (CHEMBL3093865 | US9238658, 4) Show SMILES Cc1csc(NC(=O)N2CCC(CC2)n2ccc3ccccc23)n1 Show InChI InChI=1S/C18H20N4OS/c1-13-12-24-17(19-13)20-18(23)21-9-7-15(8-10-21)22-11-6-14-4-2-3-5-16(14)22/h2-6,11-12,15H,7-10H2,1H3,(H,19,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	502	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 uL using 10 ug of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reac...				US Patent US9238658 (2016) BindingDB Entry DOI: 10.7270/Q2930S1D
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50443725 (CHEMBL3093865 | US9238658, 4) Show SMILES Cc1csc(NC(=O)N2CCC(CC2)n2ccc3ccccc23)n1 Show InChI InChI=1S/C18H20N4OS/c1-13-12-24-17(19-13)20-18(23)21-9-7-15(8-10-21)22-11-6-14-4-2-3-5-16(14)22/h2-6,11-12,15H,7-10H2,1H3,(H,19,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	538	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using Stearoyl-[9,10-3H]-CoA as substrate assessed as [3H2O] generation				Bioorg Med Chem Lett 23: 6773-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.096 BindingDB Entry DOI: 10.7270/Q21J9C7J
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50443725 (CHEMBL3093865 | US9238658, 4) Show SMILES Cc1csc(NC(=O)N2CCC(CC2)n2ccc3ccccc23)n1 Show InChI InChI=1S/C18H20N4OS/c1-13-12-24-17(19-13)20-18(23)21-9-7-15(8-10-21)22-11-6-14-4-2-3-5-16(14)22/h2-6,11-12,15H,7-10H2,1H3,(H,19,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	573	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 uL using 10 ug of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reac...				US Patent US9238658 (2016) BindingDB Entry DOI: 10.7270/Q2930S1D
					More data for this Ligand-Target Pair