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Compile Data Set for Download or QSAR

Found 3 hits of ki for UniProtKB: P06865   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM40765
PNG
(Iminocyclitol, 8)
Show SMILES CN1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O
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
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Article
PubMed
100n/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
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM40767
PNG
(Iminocyclitol, 10)
Show SMILES CC1=NC2C(OC(OS([O-])(=O)=O)C(O)C2O)S1
Show InChI InChI=1S/C7H11NO7S2/c1-2-8-3-4(9)5(10)6(14-7(3)16-2)15-17(11,12)13/h3-7,9-10H,1H3,(H,11,12,13)/p-1
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1.00E+4n/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
Beta-hexosaminidase subunit alpha (HexA)


(Homo sapiens (Human))
BDBM50394492
PNG
(CHEMBL1765471)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(CCc3ccc(cc3)-c3ccccc3)cn12
Show InChI InChI=1S/C22H24N2O4/c25-13-18-19(26)20(27)21(28)22-23-17(12-24(18)22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,12,18-21,25-28H,8,11,13H2/t18-,19-,20+,21-/m1/s1
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Article
PubMed
1.63E+5n/an/an/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of human Hex A using 4-MU-GlcNAc as substrate after 10 mins by Lineweaver Burk plot analysis


Bioorg Med Chem Lett 22: 6854-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.042
BindingDB Entry DOI: 10.7270/Q2KP838N
More data for this
Ligand-Target Pair