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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'α-glucosidase' and Ligand = 'BDBM50074020'   
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
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50074020
PNG
(CHEMBL1099206)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-7-9-14(10-8-13)21(24)25/h7-10,17,20H,5-6H2,1-4H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.80E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate preincubated for 15 min...


Eur J Med Chem 95: 199-209 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.018
BindingDB Entry DOI: 10.7270/Q2K075Z5
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50074020
PNG
(CHEMBL1099206)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-7-9-14(10-8-13)21(24)25/h7-10,17,20H,5-6H2,1-4H3
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate preincubated for 15 mins measured u...


Eur J Med Chem 95: 199-209 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.018
BindingDB Entry DOI: 10.7270/Q2K075Z5
More data for this
Ligand-Target Pair