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BDBM339723 US10202339, Compound 168

SMILES: FC(F)(F)CNS(=O)(=O)c1ccc(C2CCCCO2)c(NC(=O)Nc2cccc(Cl)c2)c1

InChI Key: InChIKey=PUVNPTNUYJQYFT-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339723   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339723
PNG
(US10202339, Compound 168)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(C2CCCCO2)c(NC(=O)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C20H21ClF3N3O4S/c21-13-4-3-5-14(10-13)26-19(28)27-17-11-15(32(29,30)25-12-20(22,23)24)7-8-16(17)18-6-1-2-9-31-18/h3-5,7-8,10-11,18,25H,1-2,6,9,12H2,(H2,26,27,28)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the react...


US Patent US10202339 (2019)

More data for this
Ligand-Target Pair