Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.4 BDBM174849

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))	BDBM174849 (US9102669, 10) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(CO)cc12 Show InChI InChI=1S/C22H26N6O/c1-26-14-18(13-23-26)20-4-5-22(25-24-20)27-9-7-19(8-10-27)28-11-6-17-3-2-16(15-29)12-21(17)28/h2-5,12-14,19,29H,6-11,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	394	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