Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 432.5 BDBM202509

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))	BDBM202509 (US9238658, 27) Show SMILES CCOC(=O)Cc1csc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)n1 Show InChI InChI=1S/C21H25FN4O3S/c1-2-29-19(27)12-16-13-30-20(23-16)24-21(28)25-8-6-17(7-9-25)26-10-5-14-3-4-15(22)11-18(14)26/h3-4,11,13,17H,2,5-10,12H2,1H3,(H,23,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	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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