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BDBM339603 US10202339, Compound 47

SMILES: Cc1cccc(c1)-c1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)NC1CCOCC1

InChI Key: InChIKey=JYCNUFTVWRYRKR-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 = 339603   
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))
BDBM339603
PNG
(US10202339, Compound 47)
Show SMILES Cc1cccc(c1)-c1ccc(cc1NC(=O)Nc1cccc(c1)C(F)(F)F)S(=O)(=O)NC1CCOCC1
Show InChI InChI=1S/C26H26F3N3O4S/c1-17-4-2-5-18(14-17)23-9-8-22(37(34,35)32-20-10-12-36-13-11-20)16-24(23)31-25(33)30-21-7-3-6-19(15-21)26(27,28)29/h2-9,14-16,20,32H,10-13H2,1H3,(H2,30,31,33)
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