Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 450.5 BDBM174875

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))	BDBM174875 (US9102669, 50) Show SMILES CCOC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H27FN6O2/c1-2-33-24(32)16-30-15-18(14-26-30)21-5-6-23(28-27-21)29-10-8-20(9-11-29)31-12-7-17-3-4-19(25)13-22(17)31/h3-6,13-15,20H,2,7-12,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	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
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