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BDBM339563 US10202339, Compound 7

SMILES: COc1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)Nc2ccccc2)c1

InChI Key: InChIKey=REJBMCKBJOXNDS-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 = 339563   
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))
BDBM339563
PNG
(US10202339, Compound 7)
Show SMILES COc1cccc(NC(=O)Nc2cc(ccc2-c2ccsc2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C24H21N3O4S2/c1-31-20-9-5-8-19(14-20)25-24(28)26-23-15-21(10-11-22(23)17-12-13-32-16-17)33(29,30)27-18-6-3-2-4-7-18/h2-16,27H,1H3,(H2,25,26,28)
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