Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 358.4 BDBM174895

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))	BDBM174895 (US9102669, 88) Show SMILES Cc1cn(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccccc12 Show InChI InChI=1S/C21H22N6/c1-16-14-26(15-22-16)21-7-6-20(23-24-21)25-11-9-18(10-12-25)27-13-8-17-4-2-3-5-19(17)27/h2-8,13-15,18H,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	86	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