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BDBM339688 US10202339, Compound 133

SMILES: FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NCC2CCOCC2)c1

InChI Key: InChIKey=JOSIDPOEPUQUMD-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 = 339688   
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))
BDBM339688
PNG
(US10202339, Compound 133)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)NCC2CCOCC2)c1
Show InChI InChI=1S/C24H24F3N3O4S2/c25-24(26,27)18-2-1-3-19(12-18)29-23(31)30-22-13-20(4-5-21(22)17-8-11-35-15-17)36(32,33)28-14-16-6-9-34-10-7-16/h1-5,8,11-13,15-16,28H,6-7,9-10,14H2,(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