Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.4 BDBM174869

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))	BDBM174869 (US9102669, 35) Show SMILES OCc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C22H20FN5O2/c23-16-2-5-20-18(11-16)22(27-30-20)14-7-9-28(10-8-14)21-6-4-19(25-26-21)15-1-3-17(13-29)24-12-15/h1-6,11-12,14,29H,7-10,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	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