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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'α-glucosidase' and Ligand = 'BDBM50329779'   
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))
BDBM50329779
PNG
(5-N,6-S-[N'-(4-Dapoxylsulfonylamino)butyliminometh...)
Show SMILES CN(C)c1ccc(cc1)-c1cnc(o1)-c1cccc(c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r|
Show InChI InChI=1S/C28H35N5O7S2/c1-32(2)19-10-8-17(9-11-19)22-15-30-26(40-22)18-6-5-7-20(14-18)42(38,39)31-13-4-3-12-29-28-33-21(16-41-28)23(34)24(35)25(36)27(33)37/h5-11,14-15,21,23-25,27,31,34-37H,3-4,12-13,16H2,1-2H3/b29-28-/t21-,23-,24+,25-,27-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.14E+5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)


Article DOI: 10.1016/j.bmc.2010.09.003
BindingDB Entry DOI: 10.7270/Q2JS9QPK
More data for this
Ligand-Target Pair