BindingDB logo
myBDB logout

BDBM339639 US10202339, Compound 84

SMILES: FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2cnccc2C(F)(F)F)c1)-c1ccccc1

InChI Key: InChIKey=FEYZYGFGGLQRID-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339639   
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))
BDBM339639
PNG
(US10202339, Compound 84)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(c(NC(=O)Nc2cnccc2C(F)(F)F)c1)-c1ccccc1
Show InChI InChI=1S/C21H16F6N4O3S/c22-20(23,24)12-29-35(33,34)14-6-7-15(13-4-2-1-3-5-13)17(10-14)30-19(32)31-18-11-28-9-8-16(18)21(25,26)27/h1-11,29H,12H2,(H2,30,31,32)
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