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BDBM50234561 CHEMBL4090087

SMILES: COc1ccc(Br)cc1\C=C\C(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O

InChI Key: InChIKey=FVGRFGLSGZUBIK-JHAORNMHSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50234561   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50234561
PNG
(CHEMBL4090087)
Show SMILES COc1ccc(Br)cc1\C=C\C(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H21BrN2O5/c1-24-13-4-3-10(17)6-9(13)2-5-14(21)18-7-11-15(22)16(23)12(8-20)19-11/h2-6,11-12,15-16,19-20,22-23H,7-8H2,1H3,(H,18,21)/b5-2+/t11-,12-,15-,16+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.28E+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
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50234561
PNG
(CHEMBL4090087)
Show SMILES COc1ccc(Br)cc1\C=C\C(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H21BrN2O5/c1-24-13-4-3-10(17)6-9(13)2-5-14(21)18-7-11-15(22)16(23)12(8-20)19-11/h2-6,11-12,15-16,19-20,22-23H,7-8H2,1H3,(H,18,21)/b5-2+/t11-,12-,15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/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