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BDBM339718 US10202339, Compound 163

SMILES: Clc1cccc(NC(=O)Nc2cc(ccc2C2CCCCO2)S(=O)(=O)NCC2CC2)c1

InChI Key: InChIKey=BVFZHCGGLTWQSQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339718   
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))
BDBM339718
PNG
(US10202339, Compound 163)
Show SMILES Clc1cccc(NC(=O)Nc2cc(ccc2C2CCCCO2)S(=O)(=O)NCC2CC2)c1
Show InChI InChI=1S/C22H26ClN3O4S/c23-16-4-3-5-17(12-16)25-22(27)26-20-13-18(31(28,29)24-14-15-7-8-15)9-10-19(20)21-6-1-2-11-30-21/h3-5,9-10,12-13,15,21,24H,1-2,6-8,11,14H2,(H2,25,26,27)
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