Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 432.4 BDBM202526

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

Found 1 hit 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))	BDBM202526 (US9238658, 51) Show SMILES CCOC(=O)Cc1csc(NC(=O)N2CCC(CC2)c2noc3ccc(F)cc23)n1 Show InChI InChI=1S/C20H21FN4O4S/c1-2-28-17(26)10-14-11-30-19(22-14)23-20(27)25-7-5-12(6-8-25)18-15-9-13(21)3-4-16(15)29-24-18/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,22,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	579	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
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