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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'IDH2(R140Q)' and Ligand = 'BDBM339730'   
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))
BDBM339730
PNG
(US10202339, Compound 352)
Show SMILES Cc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H16Cl3N3O3S/c1-12-5-8-15(24-20(27)25-19-16(22)3-2-4-17(19)23)11-18(12)30(28,29)26-14-9-6-13(21)7-10-14/h2-11,26H,1H3,(H2,24,25,27)
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