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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-hexosaminidase subunit alpha (HexA)' and Ligand = 'BDBM68269'   
Target
(Institution)
LigandTarget
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
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM68269
PNG
(M-31867)
Show SMILES CC(O)CCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C16H15NO3/c1-10(18)8-9-17-15(19)12-6-2-4-11-5-3-7-13(14(11)12)16(17)20/h2-7,10,18H,8-9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/a25



Research Institute, Hospital for Sick Children



Assay Description
Enzyme assay based on 4-MU substrates with HTS to identify inhibitory compounds for Hex.


Chem Biol 14: 153-64 (2007)

More data for this
Ligand-Target Pair