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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ataxin-1' and Ligand = 'BDBM50233160'   
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))
BDBM50233160
PNG
(CHEMBL4071490 | US11124490, Compound 3h)
Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1C#N
Show InChI InChI=1S/C18H13Cl2F2N3O4S/c19-13-8-14(20)17(30(27,28)25-1-3-29-4-2-25)7-11(13)18(26)24-10-5-15(21)12(9-23)16(22)6-10/h5-8H,1-4H2,(H,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 190n/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