Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.4 BDBM202517

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))	BDBM202517 (US9238658, 41) Show SMILES CCOC(=O)c1cccc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)c1 Show InChI InChI=1S/C23H26FN3O3/c1-2-30-22(28)17-4-3-5-19(14-17)25-23(29)26-11-9-20(10-12-26)27-13-8-16-6-7-18(24)15-21(16)27/h3-7,14-15,20H,2,8-13H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	534	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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