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SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)OCc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=DPDXALVQOXCYKF-UHFFFAOYSA-N

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 2 hits for monomerid = 258500   
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
Ataxin-2


(Homo sapiens (Human))
BDBM258500
PNG
(US10633384, Example 1.22 | US9493486, 1.22)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)OCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H24F3N3O6S/c24-23(25,26)35-18-5-1-16(2-6-18)13-34-21(31)28-11-9-22(10-12-28)14-29(15-22)20(30)17-3-7-19(8-4-17)36(27,32)33/h1-8H,9-15H2,(H2,27,32,33)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10633384 (2020)


BindingDB Entry DOI: 10.7270/Q2K077BX
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM258500
PNG
(US10633384, Example 1.22 | US9493486, 1.22)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)OCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H24F3N3O6S/c24-23(25,26)35-18-5-1-16(2-6-18)13-34-21(31)28-11-9-22(10-12-28)14-29(15-22)20(30)17-3-7-19(8-4-17)36(27,32)33/h1-8H,9-15H2,(H2,27,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/a8.030



Hoffmann-La Roches Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US9493486 (2016)


BindingDB Entry DOI: 10.7270/Q2VT1R1K
More data for this
Ligand-Target Pair