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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-hexosaminidase subunit beta' and Ligand = 'BDBM40765'   
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
Beta-hexosaminidase subunit beta


(Homo sapiens (Human))
BDBM40765
PNG
(Iminocyclitol, 8)
Show SMILES CN1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C7H14N2O7S/c1-3(10)8-6-4(11)5(12)7(9(6)2)16-17(13,14)15/h4-7,11-12H,1-2H3,(H,8,10)(H,13,14,15)/p-1/t4-,5-,6-,7+/m0/s1
PDB
MMDB

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Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair