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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-glucosidase' and Ligand = 'BDBM50186732'   
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
Beta-glucosidase


(Prunus avium)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/a5.0n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of almond beta glucosidase at pH 5


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair
Beta-glucosidase


(Hansenula anomala)
BDBM50186732
PNG
(CHEMBL206628 | D-1,4,6-trideoxy-4,4-difluoronojiri...)
Show SMILES C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Show InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/a6.8n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces fragilis beta glucosidase at pH 6.8


J Med Chem 49: 2989-97 (2006)


Article DOI: 10.1021/jm060066q
BindingDB Entry DOI: 10.7270/Q29P318F
More data for this
Ligand-Target Pair