BindingDB logo
myBDB logout

BDBM50234559 CHEMBL4081664

SMILES: OC[C@H]1N[C@H](CNC(=O)CCCCC2CCCCC2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=ZTMUKXWXXQKIQC-SRABZTEZSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50234559   
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))
BDBM50234559
PNG
(CHEMBL4081664)
Show SMILES OC[C@H]1N[C@H](CNC(=O)CCCCC2CCCCC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H32N2O4/c20-11-14-17(23)16(22)13(19-14)10-18-15(21)9-5-4-8-12-6-2-1-3-7-12/h12-14,16-17,19-20,22-23H,1-11H2,(H,18,21)/t13-,14-,16-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human alpha GAL-A using varying levels of 4-methylumbelliferyl alpha-D-galactopyranoside substrate at pH 7 ...


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))
BDBM50234559
PNG
(CHEMBL4081664)
Show SMILES OC[C@H]1N[C@H](CNC(=O)CCCCC2CCCCC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H32N2O4/c20-11-14-17(23)16(22)13(19-14)10-18-15(21)9-5-4-8-12-6-2-1-3-7-12/h12-14,16-17,19-20,22-23H,1-11H2,(H,18,21)/t13-,14-,16-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70E+3n/an/an/an/an/an/an/an/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human alpha GAL-A using varying levels of 4-methylumbelliferyl alpha-D-galactopyranoside substrate at pH 4....


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))
BDBM50234559
PNG
(CHEMBL4081664)
Show SMILES OC[C@H]1N[C@H](CNC(=O)CCCCC2CCCCC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H32N2O4/c20-11-14-17(23)16(22)13(19-14)10-18-15(21)9-5-4-8-12-6-2-1-3-7-12/h12-14,16-17,19-20,22-23H,1-11H2,(H,18,21)/t13-,14-,16-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+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
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50234559
PNG
(CHEMBL4081664)
Show SMILES OC[C@H]1N[C@H](CNC(=O)CCCCC2CCCCC2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H32N2O4/c20-11-14-17(23)16(22)13(19-14)10-18-15(21)9-5-4-8-12-6-2-1-3-7-12/h12-14,16-17,19-20,22-23H,1-11H2,(H,18,21)/t13-,14-,16-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.04E+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