Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 441.4 BDBM60564

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))	BDBM60564 (US9102669, 76) Show SMILES Fc1ccc2ccn(C3CCN(CC3)c3ccc(nn3)-c3ccc(nc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C23H19F4N5/c24-17-3-1-15-7-12-32(20(15)13-17)18-8-10-31(11-9-18)22-6-4-19(29-30-22)16-2-5-21(28-14-16)23(25,26)27/h1-7,12-14,18H,8-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	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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