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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-mannosidase' and Ligand = 'BDBM50242271'   
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
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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PC sid
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Article
PubMed
1.05E+5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114621
BindingDB Entry DOI: 10.7270/Q2QN6BSD
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.59E+4n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly

Curated by ChEMBL


Assay Description
Inhibition of Canavalia ensiformis alpha-mannosidase using p-nitrophenyl-alpha-D-mannopyranoside as substrate preincubated for 1 hr followed by subst...


Bioorg Med Chem Lett 27: 5291-5295 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.025
BindingDB Entry DOI: 10.7270/Q27H1N5F
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.05E+5n/an/an/an/an/a


TBA

Assay Description
Inhibition of jack bean alpha-mannosidase


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00036
BindingDB Entry DOI: 10.7270/Q28G8QK8
More data for this
Ligand-Target Pair