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PubMed code 9871687

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Beta-mannosidase


(Homo sapiens)
BDBM50070029
PNG
((2Z)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-...)
Show SMILES OCC1OC(=NOC(=O)Nc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C13H16N2O7/c16-6-8-9(17)10(18)11(19)12(21-8)15-22-13(20)14-7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,20)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
25n/an/an/an/an/an/an/an/a



S.E.S.N.A.B., Pole Sciences et Technologie, Universit� de La Rochelle. therisod@icmo.u-psud.fr

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against beta-mannosidase


Bioorg Med Chem Lett 8: 371-2 (1999)

More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM50070029
PNG
((2Z)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-...)
Show SMILES OCC1OC(=NOC(=O)Nc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C13H16N2O7/c16-6-8-9(17)10(18)11(19)12(21-8)15-22-13(20)14-7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



S.E.S.N.A.B., Pole Sciences et Technologie, Universit� de La Rochelle. therisod@icmo.u-psud.fr

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against beta-glucosidase


Bioorg Med Chem Lett 8: 371-2 (1999)

More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens)
BDBM50070028
PNG
(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-...)
Show SMILES OCC1[O+]=C([N-]Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C(O)C(O)C1O
Show InChI InChI=1S/C12H13N3O10/c16-4-8-9(17)10(18)11(19)12(24-8)13-25-7-2-1-5(14(20)21)3-6(7)15(22)23/h1-3,8-11,16-19H,4H2
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



S.E.S.N.A.B., Pole Sciences et Technologie, Universit� de La Rochelle. therisod@icmo.u-psud.fr

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against beta-mannosidase


Bioorg Med Chem Lett 8: 371-2 (1999)

More data for this
Ligand-Target Pair
Beta-mannosidase


(Homo sapiens)
BDBM50366566
PNG
(CHEMBL610071)
Show SMILES OCC(O)[C@H]1OC(=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2?,3-,4+,5+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
1.70E+4n/an/an/an/an/an/an/an/a



S.E.S.N.A.B., Pole Sciences et Technologie, Universit� de La Rochelle. therisod@icmo.u-psud.fr

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against beta-mannosidase


Bioorg Med Chem Lett 8: 371-2 (1999)

More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM50366565
PNG
(GLUCONOLACTONE)
Show SMILES OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



S.E.S.N.A.B., Pole Sciences et Technologie, Universit� de La Rochelle. therisod@icmo.u-psud.fr

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against beta-glucosidase


Bioorg Med Chem Lett 8: 371-2 (1999)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50070029
PNG
((2Z)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-...)
Show SMILES OCC1OC(=NOC(=O)Nc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C13H16N2O7/c16-6-8-9(17)10(18)11(19)12(21-8)15-22-13(20)14-7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,20)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
7.50E+4n/an/an/an/an/an/an/an/a



S.E.S.N.A.B., Pole Sciences et Technologie, Universit� de La Rochelle. therisod@icmo.u-psud.fr

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Alpha-glucosidase


Bioorg Med Chem Lett 8: 371-2 (1999)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%