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PubMed code 26564401

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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 alpha


(Homo sapiens (Human))
BDBM50190644
PNG
(CHEMBL3983808)
Show SMILES [H][C@]12CS\C(=N/CCCCCCCC)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C17H31N3O3S/c1-3-4-5-6-7-8-9-18-17-20-10-13(19-12(2)21)15(22)16(23)14(20)11-24-17/h13-16,22-23H,3-11H2,1-2H3,(H,19,21)/b18-17-/t13-,14+,15-,16+/m0/s1
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



The Barcelona Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of beta-hexosaminidase alpha in human skin fibroblast lysate using 4-MU-N-acetyl-beta-D-glucosaminide-6-sulfate sodium salt as substrate a...


Eur J Med Chem 121: 926-938 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.038
BindingDB Entry DOI: 10.7270/Q2542QJ5
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha


(Homo sapiens (Human))
BDBM50190645
PNG
(CHEMBL3982827)
Show SMILES [H][C@]12CS\C(=N/c3ccccc3)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C15H19N3O3S/c1-9(19)16-11-7-18-12(14(21)13(11)20)8-22-15(18)17-10-5-3-2-4-6-10/h2-6,11-14,20-21H,7-8H2,1H3,(H,16,19)/b17-15-/t11-,12+,13-,14+/m0/s1
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



The Barcelona Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of beta-hexosaminidase alpha in human skin fibroblast lysate using 4-MU-N-acetyl-beta-D-glucosaminide-6-sulfate sodium salt as substrate a...


Eur J Med Chem 121: 926-938 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.038
BindingDB Entry DOI: 10.7270/Q2542QJ5
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha/beta


(Homo sapiens (Human))
BDBM50190645
PNG
(CHEMBL3982827)
Show SMILES [H][C@]12CS\C(=N/c3ccccc3)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C15H19N3O3S/c1-9(19)16-11-7-18-12(14(21)13(11)20)8-22-15(18)17-10-5-3-2-4-6-10/h2-6,11-14,20-21H,7-8H2,1H3,(H,16,19)/b17-15-/t11-,12+,13-,14+/m0/s1
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Article
PubMed
n/an/a 3.15E+5n/an/an/an/an/an/a



The Barcelona Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of beta-hexosaminidase alpha/beta in human skin fibroblast lysate using 4-MU-(2-acetamido-2-deoxy)-beta-D-glucopyranoside as substrate ass...


Eur J Med Chem 121: 926-938 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.038
BindingDB Entry DOI: 10.7270/Q2542QJ5
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha/beta


(Homo sapiens (Human))
BDBM50190644
PNG
(CHEMBL3983808)
Show SMILES [H][C@]12CS\C(=N/CCCCCCCC)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C17H31N3O3S/c1-3-4-5-6-7-8-9-18-17-20-10-13(19-12(2)21)15(22)16(23)14(20)11-24-17/h13-16,22-23H,3-11H2,1-2H3,(H,19,21)/b18-17-/t13-,14+,15-,16+/m0/s1
PDB

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antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.15E+5n/an/an/an/an/an/a



The Barcelona Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of beta-hexosaminidase alpha/beta in human skin fibroblast lysate using 4-MU-(2-acetamido-2-deoxy)-beta-D-glucopyranoside as substrate ass...


Eur J Med Chem 121: 926-938 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.038
BindingDB Entry DOI: 10.7270/Q2542QJ5
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha


(Homo sapiens (Human))
BDBM50190643
PNG
(CHEMBL3933402)
Show SMILES CCCCCCCCNC(=S)N1C[C@H](NC(C)=O)[C@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C17H33N3O4S/c1-3-4-5-6-7-8-9-18-17(25)20-10-13(19-12(2)22)15(23)16(24)14(20)11-21/h13-16,21,23-24H,3-11H2,1-2H3,(H,18,25)(H,19,22)/t13-,14+,15-,16+/m0/s1
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PubMed
n/an/a 3.50E+5n/an/an/an/an/an/a



The Barcelona Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of beta-hexosaminidase alpha in human skin fibroblast lysate using 4-MU-N-acetyl-beta-D-glucosaminide-6-sulfate sodium salt as substrate a...


Eur J Med Chem 121: 926-938 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.038
BindingDB Entry DOI: 10.7270/Q2542QJ5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%