Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 418.4 BDBM202508

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))	BDBM202508 (US9238658, 22) Show SMILES CCOC(=O)c1csc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)n1 Show InChI InChI=1S/C20H23FN4O3S/c1-2-28-18(26)16-12-29-19(22-16)23-20(27)24-8-6-15(7-9-24)25-10-5-13-3-4-14(21)11-17(13)25/h3-4,11-12,15H,2,5-10H2,1H3,(H,22,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	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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