Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 395.4 BDBM202523

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))	BDBM202523 (US9238658, 47) Show SMILES Fc1ccc2CCN(C3CCN(CC3)C(=O)Nc3ccc4COC(=O)c4c3)c2c1 Show InChI InChI=1S/C22H22FN3O3/c23-16-3-1-14-5-10-26(20(14)11-16)18-6-8-25(9-7-18)22(28)24-17-4-2-15-13-29-21(27)19(15)12-17/h1-4,11-12,18H,5-10,13H2,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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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