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BDBM50242067 CHEMBL469435::alpha-1-C-(1,10,13-Trihydroxytridecyl)-1,4-dideoxy-1,4-imino-D-arabinitol

SMILES: OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=ABLRAGJKLQYRRX-LXHJOMHSSA-N

Data: 4 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 = 50242067   
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
Glucosylceramidase


(Homo sapiens (human))
BDBM50242067
PNG
(CHEMBL469435 | alpha-1-C-(1,10,13-Trihydroxytridec...)
Show SMILES OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of human placental beta-glucocerebrosidase by spectrophotometry


J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50242067
PNG
(CHEMBL469435 | alpha-1-C-(1,10,13-Trihydroxytridec...)
Show SMILES OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase by spectrophotometry


J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
Beta-mannosidase


(Rattus norvegicus)
BDBM50242067
PNG
(CHEMBL469435 | alpha-1-C-(1,10,13-Trihydroxytridec...)
Show SMILES OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat epididymis beta-mannosidase by spectrophotometry


J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50242067
PNG
(CHEMBL469435 | alpha-1-C-(1,10,13-Trihydroxytridec...)
Show SMILES OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H37NO8/c20-9-13(24)5-2-1-4-11(22)8-12(23)6-3-7-15(25)16-18(27)17(26)14(10-21)19-16/h11-27H,1-10H2/t11?,12?,13?,14-,15-,16-,17-,18-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase by spectrophotometry


J Nat Prod 67: 846-50 (2004)


Article DOI: 10.1021/np0499721
BindingDB Entry DOI: 10.7270/Q2Q52PD8
More data for this
Ligand-Target Pair