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BDBM339612 US10202339, Compound 56

SMILES: Fc1ccc(NC(=O)Nc2cc(ccc2-c2cccnc2)S(=O)(=O)NCC(F)(F)F)cc1C(F)(F)F

InChI Key: InChIKey=LTPRJNNXUNTPRT-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339612   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IDH2(R140Q)


(Homo sapiens (Human))
BDBM339612
PNG
(US10202339, Compound 56)
Show SMILES Fc1ccc(NC(=O)Nc2cc(ccc2-c2cccnc2)S(=O)(=O)NCC(F)(F)F)cc1C(F)(F)F
Show InChI InChI=1S/C21H15F7N4O3S/c22-17-6-3-13(8-16(17)21(26,27)28)31-19(33)32-18-9-14(36(34,35)30-11-20(23,24)25)4-5-15(18)12-2-1-7-29-10-12/h1-10,30H,11H2,(H2,31,32,33)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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)


BindingDB Entry DOI: 10.7270/Q25M67VR
More data for this
Ligand-Target Pair