Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 406.4 BDBM60565

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))	BDBM60565 (US9102669, 78) Show SMILES OCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C22H23FN6O/c23-18-2-1-16-5-10-29(21(16)13-18)19-6-8-27(9-7-19)22-4-3-20(25-26-22)17-14-24-28(15-17)11-12-30/h1-5,10,13-15,19,30H,6-9,11-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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