Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 407.4 BDBM174890

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))	BDBM174890 (US9102669, 82) Show SMILES OCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ncc2ccc(F)cc12 Show InChI InChI=1S/C21H22FN7O/c22-17-2-1-15-12-24-29(20(15)11-17)18-5-7-27(8-6-18)21-4-3-19(25-26-21)16-13-23-28(14-16)9-10-30/h1-4,11-14,18,30H,5-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	53	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