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Compile Data Set for Download or QSAR

Found 4 hits of ic50 data for polymerid = 50003260   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-glucosidase


(Bacillus stearothermophilus)
BDBM50231670
PNG
((2R,3R,4R,5S)-1-(8-(3-(3H-1,2,3-triazol-4-yl)pheno...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCCCOc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C22H34N4O5/c27-15-19-21(29)22(30)20(28)14-26(19)10-5-3-1-2-4-6-11-31-17-9-7-8-16(12-17)18-13-23-25-24-18/h7-9,12-13,19-22,27-30H,1-6,10-11,14-15H2,(H,23,24,25)/t19-,20+,21-,22-/m1/s1
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PubMed
n/an/a 1.15E+3n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Inhibition of alpha glucosidase from bacillus sterothermophilus


Bioorg Med Chem Lett 18: 954-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.034
BindingDB Entry DOI: 10.7270/Q2NZ87C1
More data for this
Ligand-Target Pair
Alpha-glucosidase


(Bacillus stearothermophilus)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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KEGG
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Article
PubMed
n/an/a 1.67E+3n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Inhibition of alpha glucosidase from bacillus sterothermophilus


Bioorg Med Chem Lett 18: 954-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.034
BindingDB Entry DOI: 10.7270/Q2NZ87C1
More data for this
Ligand-Target Pair
Alpha-glucosidase


(Bacillus stearothermophilus)
BDBM50231671
PNG
((2R,3R,4R,5S)-1-(6-(3-(3H-1,2,3-triazol-4-yl)pheno...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C20H30N4O5/c25-13-17-19(27)20(28)18(26)12-24(17)8-3-1-2-4-9-29-15-7-5-6-14(10-15)16-11-21-23-22-16/h5-7,10-11,17-20,25-28H,1-4,8-9,12-13H2,(H,21,22,23)/t17-,18+,19-,20-/m1/s1
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Article
PubMed
n/an/a 2.41E+3n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Inhibition of alpha glucosidase from bacillus sterothermophilus


Bioorg Med Chem Lett 18: 954-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.034
BindingDB Entry DOI: 10.7270/Q2NZ87C1
More data for this
Ligand-Target Pair
Alpha-glucosidase


(Bacillus stearothermophilus)
BDBM50231672
PNG
((2R,3R,4R,5S)-1-(4-(3-(1H-1,2,3-triazol-4-yl)pheno...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCOc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C18H26N4O5/c23-11-15-17(25)18(26)16(24)10-22(15)6-1-2-7-27-13-5-3-4-12(8-13)14-9-19-21-20-14/h3-5,8-9,15-18,23-26H,1-2,6-7,10-11H2,(H,19,20,21)/t15-,16+,17-,18-/m1/s1
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Article
PubMed
n/an/a 6.07E+3n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Inhibition of alpha glucosidase from bacillus sterothermophilus


Bioorg Med Chem Lett 18: 954-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.034
BindingDB Entry DOI: 10.7270/Q2NZ87C1
More data for this
Ligand-Target Pair