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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'α-glucosidase' and Ligand = 'BDBM50329780'   
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))
BDBM50329780
PNG
(5-N,6-S-[N'-[4-(6-Dansylaminohexanamido)butyl]imin...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCS(=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/C28H43N5O8S3/c1-32(2)21-12-8-11-20-19(21)10-9-13-23(20)44(40,41)31-16-4-3-7-17-43(38,39)30-15-6-5-14-29-28-33-22(18-42-28)24(34)25(35)26(36)27(33)37/h8-13,22,24-27,30-31,34-37H,3-7,14-18H2,1-2H3/b29-28-/t22-,24-,25+,26-,27-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.51E+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