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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-galactosidase' and Ligand = 'BDBM50260445'   
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-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260445
PNG
(CHEMBL4064761)
Show SMILES OC[C@@]1(NC[C@H](F)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H10FNO4/c7-3-1-8-6(2-9,4(3)10)5(11)12/h3-4,8-10H,1-2H2,(H,11,12)/t3-,4+,6-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.64E+5n/an/an/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addition by fluor...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair
Alpha-galactosidase


(Coffea arabica (Coffee beans))
BDBM50260445
PNG
(CHEMBL4064761)
Show SMILES OC[C@@]1(NC[C@H](F)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C6H10FNO4/c7-3-1-8-6(2-9,4(3)10)5(11)12/h3-4,8-10H,1-2H2,(H,11,12)/t3-,4+,6-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.92E+5n/an/an/an/an/an/a



Savitribai Phule Pune University (Formerly University of Pune)

Curated by ChEMBL


Assay Description
Inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addition by fluor...


Bioorg Med Chem 25: 5148-5159 (2017)


Article DOI: 10.1016/j.bmc.2017.07.026
BindingDB Entry DOI: 10.7270/Q23T9KP7
More data for this
Ligand-Target Pair