Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 416.4 BDBM202533

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))	BDBM202533 (US9238658, 60) Show SMILES OC1CCc2nc(NC(=O)N3CCC(CC3)c3noc4ccc(F)cc34)sc2C1 Show InChI InChI=1S/C20H21FN4O3S/c21-12-1-4-16-14(9-12)18(24-28-16)11-5-7-25(8-6-11)20(27)23-19-22-15-3-2-13(26)10-17(15)29-19/h1,4,9,11,13,26H,2-3,5-8,10H2,(H,22,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	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