Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 388.4 BDBM60558

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))	BDBM60558 (US9102669, 62) Show SMILES COc1ccc2ccn(C3CCN(CC3)c3ccc(nn3)-c3cnn(C)c3)c2c1 Show InChI InChI=1S/C22H24N6O/c1-26-15-17(14-23-26)20-5-6-22(25-24-20)27-10-8-18(9-11-27)28-12-7-16-3-4-19(29-2)13-21(16)28/h3-7,12-15,18H,8-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	317	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