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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ataxin-1' and Ligand = 'BDBM50233154'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ataxin-1


(Homo sapiens (Human))
BDBM50233154
PNG
(CHEMBL4096134 | US11124490, Compound 10)
Show SMILES Fc1ccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F
Show InChI InChI=1S/C17H14Cl2F2N2O4S/c18-12-9-13(19)16(28(25,26)23-3-5-27-6-4-23)8-11(12)17(24)22-10-1-2-14(20)15(21)7-10/h1-2,7-9H,3-6H2,(H,22,24)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 31.5n/an/an/an/an/an/a


TBA

Assay Description
Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29Z982P
More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM50233154
PNG
(CHEMBL4096134 | US11124490, Compound 10)
Show SMILES Fc1ccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F
Show InChI InChI=1S/C17H14Cl2F2N2O4S/c18-12-9-13(19)16(28(25,26)23-3-5-27-6-4-23)8-11(12)17(24)22-10-1-2-14(20)15(21)7-10/h1-2,7-9H,3-6H2,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29Z982P
More data for this
Ligand-Target Pair