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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tissue alpha-L-fucosidase' and Ligand = 'BDBM50072682'   
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
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072682
PNG
(CHEMBL115930 | {[(3,4,5-Trihydroxy-2-hydroxymethyl...)
Show SMILES CC1NC(CO)(CNC(=O)CNC(=O)OCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C18H27N3O7/c1-11-14(24)15(25)16(26)18(10-22,21-11)9-20-13(23)7-19-17(27)28-8-12-5-3-2-4-6-12/h2-6,11,14-16,21-22,24-26H,7-10H2,1H3,(H,19,27)(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 40n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072682
PNG
(CHEMBL115930 | {[(3,4,5-Trihydroxy-2-hydroxymethyl...)
Show SMILES CC1NC(CO)(CNC(=O)CNC(=O)OCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C18H27N3O7/c1-11-14(24)15(25)16(26)18(10-22,21-11)9-20-13(23)7-19-17(27)28-8-12-5-3-2-4-6-12/h2-6,11,14-16,21-22,24-26H,7-10H2,1H3,(H,19,27)(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 190n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072682
PNG
(CHEMBL115930 | {[(3,4,5-Trihydroxy-2-hydroxymethyl...)
Show SMILES CC1NC(CO)(CNC(=O)CNC(=O)OCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C18H27N3O7/c1-11-14(24)15(25)16(26)18(10-22,21-11)9-20-13(23)7-19-17(27)28-8-12-5-3-2-4-6-12/h2-6,11,14-16,21-22,24-26H,7-10H2,1H3,(H,19,27)(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair