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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-mannosidase' and Ligand = 'BDBM50579646'   
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)
BDBM50579646
PNG
(CHEMBL5078012)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCn1cc(COc2ccc(Oc3cc4c5c(cc(Oc6ccc(OCc7cn(CCCN8C[C@H](O)[C@@H](O)[C@H](O)[C@H]8CO)nn7)cc6)c6c7c(Cl)cc8c9c(cc(Cl)c(c3c56)c79)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c8=O)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c4=O)cc2)nn1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Jack bean alpha-mannosidase by Lineweaver-Burk plot


Citation and Details

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


(Canavalia ensiformis)
BDBM50579646
PNG
(CHEMBL5078012)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCn1cc(COc2ccc(Oc3cc4c5c(cc(Oc6ccc(OCc7cn(CCCN8C[C@H](O)[C@@H](O)[C@H](O)[C@H]8CO)nn7)cc6)c6c7c(Cl)cc8c9c(cc(Cl)c(c3c56)c79)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c8=O)c(=O)n(Cc3cn(CCCN5C[C@H](O)[C@@H](O)[C@H](O)[C@H]5CO)nn3)c4=O)cc2)nn1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 120n/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