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Compile Data Set for Download or QSAR

Found 3 hits of ki 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)
BDBM50333465
PNG
((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1
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PC cid
PC sid
PDB
UniChem

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Article
PubMed
340n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus stearothermophilus alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by H...


Bioorg Med Chem Lett 21: 2441-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.062
BindingDB Entry DOI: 10.7270/Q2Z60PCK
More data for this
Ligand-Target Pair
Alpha-glucosidase


(Bacillus stearothermophilus)
BDBM50339930
PNG
(CHEMBL1761668 | N1-((S)-1-((S)-1-amino-3-(4-hydrox...)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C36H41N5O11/c37-34(49)26(15-19-5-9-22(43)10-6-19)41-35(50)27(16-20-17-38-25-4-2-1-3-24(20)25)40-30(45)14-13-29(44)39-21-7-11-23(12-8-21)51-36-33(48)32(47)31(46)28(18-42)52-36/h1-12,17,26-28,31-33,36,38,42-43,46-48H,13-16,18H2,(H2,37,49)(H,39,44)(H,40,45)(H,41,50)/t26-,27-,28+,31+,32-,33+,36+/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus stearothermophilus alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by H...


Bioorg Med Chem Lett 21: 2441-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.062
BindingDB Entry DOI: 10.7270/Q2Z60PCK
More data for this
Ligand-Target Pair
Alpha-glucosidase


(Bacillus stearothermophilus)
BDBM50339929
PNG
(CHEMBL1761667 | N1-((S)-1-((S)-1-amino-3-(4-hydrox...)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C30H31N5O6/c31-29(40)25(15-18-5-9-21(36)10-6-18)35-30(41)26(16-19-17-32-24-4-2-1-3-23(19)24)34-28(39)14-13-27(38)33-20-7-11-22(37)12-8-20/h1-12,17,25-26,32,36-37H,13-16H2,(H2,31,40)(H,33,38)(H,34,39)(H,35,41)/t25-,26-/m0/s1
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B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+6n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus stearothermophilus alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by H...


Bioorg Med Chem Lett 21: 2441-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.062
BindingDB Entry DOI: 10.7270/Q2Z60PCK
More data for this
Ligand-Target Pair