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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ataxin-1' and Ligand = 'BDBM50233163'   
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))
BDBM50233163
PNG
(CHEMBL4102111 | US11124490, Compound 12)
Show SMILES Fc1cccc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c1
Show InChI InChI=1S/C17H15Cl2FN2O3S2/c18-14-10-15(19)16(27(23,24)22-4-6-25-7-5-22)9-13(14)17(26)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 121n/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