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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-galactosidase A' and Ligand = 'BDBM50099009'   
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
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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