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BDBM339747 US10202339, Compound 192

SMILES: FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2Oc2ccccc2)S(=O)(=O)Nc2ccccc2)c1

InChI Key: InChIKey=GTUBKNBQFKZEDB-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339747   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339747
PNG
(US10202339, Compound 192)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2Oc2ccccc2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C26H20F3N3O4S/c27-26(28,29)18-8-7-11-20(16-18)30-25(33)31-23-17-22(37(34,35)32-19-9-3-1-4-10-19)14-15-24(23)36-21-12-5-2-6-13-21/h1-17,32H,(H2,30,31,33)
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)


BindingDB Entry DOI: 10.7270/Q25M67VR
More data for this
Ligand-Target Pair