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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'IDH2(R140Q)' and Ligand = 'BDBM339562'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339562
PNG
(US10202339, Compound 6)
Show SMILES COc1ccccc1NC(=O)Nc1cc(ccc1-c1ccsc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H21N3O4S2/c1-31-23-10-6-5-9-21(23)25-24(28)26-22-15-19(11-12-20(22)17-13-14-32-16-17)33(29,30)27-18-7-3-2-4-8-18/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