Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 395.4 BDBM174865

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))	BDBM174865 (US9102669, 28) Show SMILES Cc1cnc(s1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C20H18FN5OS/c1-12-11-22-20(28-12)16-3-5-18(24-23-16)26-8-6-13(7-9-26)19-15-10-14(21)2-4-17(15)27-25-19/h2-5,10-11,13H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	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