Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.4 BDBM202498

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))	BDBM202498 (US9238658, 5) Show SMILES CNC(=O)c1cccc(NC(=O)N2CCC(CC2)c2noc3ccc(F)cc23)c1 Show InChI InChI=1S/C21H21FN4O3/c1-23-20(27)14-3-2-4-16(11-14)24-21(28)26-9-7-13(8-10-26)19-17-12-15(22)5-6-18(17)29-25-19/h2-6,11-13H,7-10H2,1H3,(H,23,27)(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	413	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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