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SMILES: Fc1ccc2CCN(C3CCN(CC3)C(=O)Nc3nc4CCOCc4s3)c2c1

InChI Key: InChIKey=VPMWEVOMGYIKLQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50443728   

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))	BDBM50443728 (CHEMBL3093880 | US9238658, 61) Show SMILES Fc1ccc2CCN(C3CCN(CC3)C(=O)Nc3nc4CCOCc4s3)c2c1 Show InChI InChI=1S/C20H23FN4O2S/c21-14-2-1-13-3-9-25(17(13)11-14)15-4-7-24(8-5-15)20(26)23-19-22-16-6-10-27-12-18(16)28-19/h1-2,11,15H,3-10,12H2,(H,22,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	204	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))	BDBM50443728 (CHEMBL3093880 | US9238658, 61) Show SMILES Fc1ccc2CCN(C3CCN(CC3)C(=O)Nc3nc4CCOCc4s3)c2c1 Show InChI InChI=1S/C20H23FN4O2S/c21-14-2-1-13-3-9-25(17(13)11-14)15-4-7-24(8-5-15)20(26)23-19-22-16-6-10-27-12-18(16)28-19/h1-2,11,15H,3-10,12H2,(H,22,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	204	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