Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.3 BDBM174863

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))	BDBM174863 (US9102669, 26) Show SMILES Fc1ccc2onc(C3CCN(CC3)c3ccc(nn3)-c3cn[nH]c3)c2c1 Show InChI InChI=1S/C19H17FN6O/c20-14-1-3-17-15(9-14)19(25-27-17)12-5-7-26(8-6-12)18-4-2-16(23-24-18)13-10-21-22-11-13/h1-4,9-12H,5-8H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	111	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 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair