Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.4 BDBM174852

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))	BDBM174852 (US9102669, 5) Show SMILES Cc1nsc(n1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C19H17FN6OS/c1-11-21-19(28-25-11)15-3-5-17(23-22-15)26-8-6-12(7-9-26)18-14-10-13(20)2-4-16(14)27-24-18/h2-5,10,12H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68	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