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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50048107   
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
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50099009
PNG
((3S,4S,5R)-2-Aminomethyl-5-hydroxymethyl-pyrrolidi...)
Show SMILES NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4-,5?,6+/m1/s1
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Article
PubMed
n/an/a 53n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50099009
PNG
((3S,4S,5R)-2-Aminomethyl-5-hydroxymethyl-pyrrolidi...)
Show SMILES NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4-,5?,6+/m1/s1
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Article
PubMed
n/an/a 670n/an/an/an/a4.6n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 4.6 after 10 mins by fluore...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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n/an/a 750n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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n/an/a 1.00E+3n/an/an/an/a4.6n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 4.6 after 10 mins by fluore...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204611
PNG
(CHEMBL1289018 | D-15)
Show SMILES OC[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5+/m1/s1
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n/an/a 9.50E+3n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204610
PNG
(CHEMBL3908900)
Show SMILES NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4+,5+,6-/m0/s1
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n/an/a 1.06E+4n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204609
PNG
(CHEMBL3985941)
Show SMILES NC[C@H]1N[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4+,5-,6+/m1/s1
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n/an/a 1.40E+4n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204613
PNG
(CHEMBL3929052)
Show SMILES CC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C8H16N2O4/c1-4(12)9-2-5-7(13)8(14)6(3-11)10-5/h5-8,10-11,13-14H,2-3H2,1H3,(H,9,12)/t5-,6-,7-,8+/m1/s1
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n/an/a 2.21E+4n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204610
PNG
(CHEMBL3908900)
Show SMILES NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4+,5+,6-/m0/s1
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n/an/a 3.42E+4n/an/an/an/a4.6n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 4.6 after 10 mins by fluore...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204609
PNG
(CHEMBL3985941)
Show SMILES NC[C@H]1N[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4+,5-,6+/m1/s1
PDB
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n/an/a 2.66E+5n/an/an/an/a4.6n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 4.6 after 10 mins by fluore...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair