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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 = 'BDBM50163440'   
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))
BDBM50163440
PNG
((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/s2
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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



National Cheng-Kung University

Curated by ChEMBL


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


Eur J Med Chem 126: 1-6 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.004
BindingDB Entry DOI: 10.7270/Q2KP84DV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50163440
PNG
((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human alpha GAL-A using 4-methylumbelliferyl alpha-D-galactopyranoside as substrate at pH 4.6 after 15 mins by fluorescence...


Eur J Med Chem 126: 1-6 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.004
BindingDB Entry DOI: 10.7270/Q2KP84DV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)