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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'alpha-1,2-Mannosidase' and Ligand = 'BDBM50168996'   
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-1,2-Mannosidase


(Glycine max)
BDBM50168996
PNG
((2R,3R,4S)-2-{[(R)-2-(3-Fluoro-benzyloxy)-1-phenyl...)
Show SMILES O[C@H]1CN[C@H](CNC(COCc2cccc(F)c2)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C20H25FN2O3/c21-16-8-4-5-14(9-16)12-26-13-18(15-6-2-1-3-7-15)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18?,19+,20-/m1/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
alpha-1,2-Mannosidase


(Glycine max)
BDBM50168996
PNG
((2R,3R,4S)-2-{[(R)-2-(3-Fluoro-benzyloxy)-1-phenyl...)
Show SMILES O[C@H]1CN[C@H](CNC(COCc2cccc(F)c2)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C20H25FN2O3/c21-16-8-4-5-14(9-16)12-26-13-18(15-6-2-1-3-7-15)22-10-17-20(25)19(24)11-23-17/h1-9,17-20,22-25H,10-13H2/t17-,18?,19+,20-/m1/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair