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BDBM339548 US10202339, Compound 329

SMILES: CC(=O)Nc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3ccc(cc3)C(F)(F)F)ccc2C)cc1

InChI Key: InChIKey=YSGRBZUURVOMLS-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 = 339548   
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
IDH1 R132H


(Homo sapiens (Human))
BDBM339548
PNG
(US10202339, Compound 329)
Show SMILES CC(=O)Nc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3ccc(cc3)C(F)(F)F)ccc2C)cc1
Show InChI InChI=1S/C23H21F3N4O4S/c1-14-3-6-20(29-22(32)28-18-7-4-16(5-8-18)23(24,25)26)13-21(14)35(33,34)30-19-11-9-17(10-12-19)27-15(2)31/h3-13,30H,1-2H3,(H,27,31)(H2,28,29,32)
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
Assays were conducted in a volume of 76 μl assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in ...


US Patent US10202339 (2019)


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