Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 402.4 BDBM202534

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))	BDBM202534 (US9238658, 63) Show SMILES Fc1ccc2onc(C3CCN(CC3)C(=O)Nc3nc4CCOCc4s3)c2c1 Show InChI InChI=1S/C19H19FN4O3S/c20-12-1-2-15-13(9-12)17(23-27-15)11-3-6-24(7-4-11)19(25)22-18-21-14-5-8-26-10-16(14)28-18/h1-2,9,11H,3-8,10H2,(H,21,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	85	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 uL using 10 ug of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reac...				US Patent US9238658 (2016) BindingDB Entry DOI: 10.7270/Q2930S1D
					More data for this Ligand-Target Pair