Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 360.4 BDBM50443722

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))	BDBM50443722 (CHEMBL3093868 | US9238658, 20) Show SMILES Cc1csc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)n1 Show InChI InChI=1S/C18H21FN4OS/c1-12-11-25-17(20-12)21-18(24)22-7-5-15(6-8-22)23-9-4-13-2-3-14(19)10-16(13)23/h2-3,10-11,15H,4-9H2,1H3,(H,20,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	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))	BDBM50443722 (CHEMBL3093868 | US9238658, 20) Show SMILES Cc1csc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)n1 Show InChI InChI=1S/C18H21FN4OS/c1-12-11-25-17(20-12)21-18(24)22-7-5-15(6-8-22)23-9-4-13-2-3-14(19)10-16(13)23/h2-3,10-11,15H,4-9H2,1H3,(H,20,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	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