null

SMILES: NC(=O)c1csc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)n1

InChI Key: InChIKey=BLQYUZLBNKYNMB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50443715   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50443715 (CHEMBL3093875 | US9238658, 26) Show SMILES NC(=O)c1csc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)n1 Show InChI InChI=1S/C18H20FN5O2S/c19-12-2-1-11-3-8-24(15(11)9-12)13-4-6-23(7-5-13)18(26)22-17-21-14(10-27-17)16(20)25/h1-2,9-10,13H,3-8H2,(H2,20,25)(H,21,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	682	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))	BDBM50443715 (CHEMBL3093875 | US9238658, 26) Show SMILES NC(=O)c1csc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)n1 Show InChI InChI=1S/C18H20FN5O2S/c19-12-2-1-11-3-8-24(15(11)9-12)13-4-6-23(7-5-13)18(26)22-17-21-14(10-27-17)16(20)25/h1-2,9-10,13H,3-8H2,(H2,20,25)(H,21,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	682	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