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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-glucosidase A' and Ligand = 'BDBM50104303'   
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 A


(Caldocellum saccharolyticum)
BDBM50104303
PNG
(2-{[(Furan-2-ylmethyl)-amino]-methyl}-pyrrolidine-...)
Show SMILES OC1CNC(CNCc2ccco2)C1O
Show InChI InChI=1S/C10H16N2O3/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.00E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50104303
PNG
(2-{[(Furan-2-ylmethyl)-amino]-methyl}-pyrrolidine-...)
Show SMILES OC1CNC(CNCc2ccco2)C1O
Show InChI InChI=1S/C10H16N2O3/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.


Bioorg Med Chem Lett 11: 2489-93 (2001)


BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair