Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 382.4 BDBM202505

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))	BDBM202505 (US9238658, 16) Show SMILES NC(=O)c1cccc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)c1 Show InChI InChI=1S/C21H23FN4O2/c22-16-5-4-14-6-11-26(19(14)13-16)18-7-9-25(10-8-18)21(28)24-17-3-1-2-15(12-17)20(23)27/h1-5,12-13,18H,6-11H2,(H2,23,27)(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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
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