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BDBM339734 US10202339, Compound 178

SMILES: FC(F)(F)CNS(=O)(=O)c1ccc(OC2CCOCC2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1

InChI Key: InChIKey=DLSJZBJIRCDXAI-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339734   
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))
BDBM339734
PNG
(US10202339, Compound 178)
Show SMILES FC(F)(F)CNS(=O)(=O)c1ccc(OC2CCOCC2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F6N3O5S/c22-20(23,24)12-28-36(32,33)16-4-5-18(35-15-6-8-34-9-7-15)17(11-16)30-19(31)29-14-3-1-2-13(10-14)21(25,26)27/h1-5,10-11,15,28H,6-9,12H2,(H2,29,30,31)
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