Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.5 BDBM202501

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))	BDBM202501 (US9238658, 9) Show SMILES CCCc1nc2ccc(NC(=O)N3CCC(CC3)c3noc4ccc(F)cc34)cc2s1 Show InChI InChI=1S/C23H23FN4O2S/c1-2-3-21-26-18-6-5-16(13-20(18)31-21)25-23(29)28-10-8-14(9-11-28)22-17-12-15(24)4-7-19(17)30-27-22/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	444	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