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BDBM339673 US10202339, Compound 118

SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1

InChI Key: InChIKey=DKPKVBORSGDDJR-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 339673   
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))
BDBM339673
PNG
(US10202339, Compound 118)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H22F3N3O3S2/c1-21(2,3)28-33(30,31)17-7-8-18(14-9-10-32-13-14)19(12-17)27-20(29)26-16-6-4-5-15(11-16)22(23,24)25/h4-13,28H,1-3H3,(H2,26,27,29)
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