Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 417.4 BDBM174877

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))	BDBM174877 (US9102669, 56) Show SMILES NC(=O)c1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H24FN5O/c25-19-6-5-17-9-14-30(22(17)15-19)20-10-12-29(13-11-20)23-8-7-21(27-28-23)16-1-3-18(4-2-16)24(26)31/h1-8,15,20H,9-14H2,(H2,26,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	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