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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 = 'BDBM50234565'   
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))
BDBM50234565
PNG
(CHEMBL4093453)
Show SMILES COc1cccc(CCC(=O)NC[C@H]2N[C@H](CO)[C@H](O)[C@@H]2O)c1
Show InChI InChI=1S/C16H24N2O5/c1-23-11-4-2-3-10(7-11)5-6-14(20)17-8-12-15(21)16(22)13(9-19)18-12/h2-4,7,12-13,15-16,18-19,21-22H,5-6,8-9H2,1H3,(H,17,20)/t12-,13-,15-,16+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.30E+4n/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
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50234565
PNG
(CHEMBL4093453)
Show SMILES COc1cccc(CCC(=O)NC[C@H]2N[C@H](CO)[C@H](O)[C@@H]2O)c1
Show InChI InChI=1S/C16H24N2O5/c1-23-11-4-2-3-10(7-11)5-6-14(20)17-8-12-15(21)16(22)13(9-19)18-12/h2-4,7,12-13,15-16,18-19,21-22H,5-6,8-9H2,1H3,(H,17,20)/t12-,13-,15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.91E+4n/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
More data for this
Ligand-Target Pair