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BDBM339676 US10202339, Compound 121

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

InChI Key: InChIKey=LUOWWVGJHYRERS-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 339676   
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))
BDBM339676
PNG
(US10202339, Compound 121)
Show SMILES COCCNS(=O)(=O)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H20F3N3O4S2/c1-31-9-8-25-33(29,30)17-5-6-18(14-7-10-32-13-14)19(12-17)27-20(28)26-16-4-2-3-15(11-16)21(22,23)24/h2-7,10-13,25H,8-9H2,1H3,(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