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Compile Data Set for Download or QSAR

Found 18 hits of ki data for polymerid = 50001107,8010   
Target
(Institution)
LigandTarget
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
Lysosomal alpha-glucosidase


(Homo sapiens)
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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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition constant against human lysosomal alpha-glucosidase


Bioorg Med Chem Lett 7: 355-360 (1997)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM18353
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine...)
Show SMILES CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1
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420n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition constant against human lysosomal alpha-glucosidase


Bioorg Med Chem Lett 7: 355-360 (1997)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50291029
PNG
((2R,3R,4R,5S)-2-Hydroxymethyl-1-((E)-3-trimethylsi...)
Show SMILES C[Si](C)(C)\C=C\CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H25NO4Si/c1-18(2,3)6-4-5-13-7-10(15)12(17)11(16)9(13)8-14/h4,6,9-12,14-17H,5,7-8H2,1-3H3/b6-4+/t9-,10+,11-,12-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition constant against human lysosomal alpha-glucosidase


Bioorg Med Chem Lett 7: 355-360 (1997)

More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM243075
PNG
(α-Gl inhibitor, C3)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1c2[nH]c(=O)[nH]c(=O)c2C(C(O)C(O)C(O)C(O)CO)c2c1[nH]c(=O)[nH]c2=O
Show InChI InChI=1/C26H26N6O11S/c27-10-1-5-12(6-2-10)44(42,43)13-7-3-11(4-8-13)32-21-16(23(38)30-25(40)28-21)15(17-22(32)29-26(41)31-24(17)39)19(36)20(37)18(35)14(34)9-33/h1-8,14-15,18-20,33-37H,9,27H2,(H2,28,30,38,40)(H2,29,31,39,41)
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2.50E+3n/an/an/an/an/an/an/an/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50291031
PNG
((2R,3R,4R,5S)-2-Hydroxymethyl-1-(3-trimethylsilany...)
Show SMILES C[Si](C)(C)CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H27NO4Si/c1-18(2,3)6-4-5-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition constant against human lysosomal alpha-glucosidase


Bioorg Med Chem Lett 7: 355-360 (1997)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50291027
PNG
((2R,3R,4R,5S)-2-Hydroxymethyl-1-(4-trimethylsilany...)
Show SMILES C[Si](C)(C)c1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C16H27NO4Si/c1-22(2,3)12-6-4-11(5-7-12)8-17-9-14(19)16(21)15(20)13(17)10-18/h4-7,13-16,18-21H,8-10H2,1-3H3/t13-,14+,15-,16-/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition constant against human lysosomal alpha-glucosidase


Bioorg Med Chem Lett 7: 355-360 (1997)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50366376
PNG
(CHEMBL1159523)
Show SMILES CC(=O)OCC(CO[C@H]1O[C@H](CS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O
Show InChI InChI=1S/C13H22O12S/c1-6(14)22-3-8(24-7(2)15)4-23-13-12(18)11(17)10(16)9(25-13)5-26(19,20)21/h8-13,16-18H,3-5H2,1-2H3,(H,19,20,21)/t8?,9-,10-,11+,12-,13+/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Tested for inhibitory constant against yeast alpha-glucosidase


Citation and Details
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50285807
PNG
(CHEMBL2368787)
Show SMILES OC[C@@H]1N=C(NCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H18N2O4/c16-7-9-10(17)11(18)12(19)13(15-9)14-6-8-4-2-1-3-5-8/h1-5,9-12,16-19H,6-7H2,(H,14,15)/t9-,10+,11-,12-/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition against beta-glucosidase in sweet almond


Citation and Details
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
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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PubMed
2.50E+4n/an/an/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-glucosidase of yeast


Bioorg Med Chem Lett 9: 615-8 (1999)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50287006
PNG
(Azepane-3,4,5,6-tetraol | CHEMBL13922)
Show SMILES O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5+,6+/m0/s1
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2.94E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of alpha-glucosidase from yeast.


Bioorg Med Chem Lett 6: 1117-1122 (1996)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50076963
PNG
((3R,5R)-2-Hydroxymethyl-1-methyl-piperidine-3,4,5-...)
Show SMILES CN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3
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5.40E+4n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory potency for brewer's yeast alpha-glucosidase in 0.1 M sodium phosphate buffer at pH 6.55.


Bioorg Med Chem Lett 9: 1255-60 (1999)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50070029
PNG
((2Z)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-...)
Show SMILES OCC1OC(=NOC(=O)Nc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C13H16N2O7/c16-6-8-9(17)10(18)11(19)12(21-8)15-22-13(20)14-7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,20)
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7.50E+4n/an/an/an/an/an/an/an/a



S.E.S.N.A.B., Pole Sciences et Technologie, Universit� de La Rochelle. therisod@icmo.u-psud.fr

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Alpha-glucosidase


Bioorg Med Chem Lett 8: 371-2 (1999)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50075408
PNG
(5-(hydroxymethyl)piperidine-3,4-diol | CHEMBL34512...)
Show SMILES OCC1CNCC(O)C1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2
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8.60E+4n/an/an/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-glucosidase of yeast


Bioorg Med Chem Lett 9: 615-8 (1999)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50285809
PNG
(CHEMBL2368788)
Show SMILES CO[C@H]1O[C@@H](CNC2=N[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C13H24N2O9/c1-23-13-11(22)9(20)7(18)5(24-13)2-14-12-10(21)8(19)6(17)4(3-16)15-12/h4-11,13,16-22H,2-3H2,1H3,(H,14,15)/t4-,5-,6+,7+,8-,9-,10-,11+,13-/m0/s1
PDB

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1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition against beta-glucosidase in sweet almond


Citation and Details
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50076963
PNG
((3R,5R)-2-Hydroxymethyl-1-methyl-piperidine-3,4,5-...)
Show SMILES CN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3
PDB

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3.69E+5n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory potency for brewer's yeast alpha-glucosidase in 0.01 mM EDTA, 0.01 mM PIPES and 0.2 M NaOAc at pH 6.5.


Bioorg Med Chem Lett 9: 1255-60 (1999)

More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50285810
PNG
(6-benzylamino-2,3,4,5-tetrahydro-2-pyridiniumylmet...)
Show SMILES OCC1CCCC(NCc2ccccc2)=[NH+]1
Show InChI InChI=1S/C13H18N2O/c16-10-12-7-4-8-13(15-12)14-9-11-5-2-1-3-6-11/h1-3,5-6,12,16H,4,7-10H2,(H,14,15)/p+1
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7.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition against beta-glucosidase in sweet almond


Citation and Details
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50285808
PNG
(6N-benzyl-2,3,4,5-tetrahydro-6-pyridiniumamine)
Show SMILES C(NC1=[NH+]CCCC1)c1ccccc1
Show InChI InChI=1S/C12H16N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-3,6-7H,4-5,8-10H2,(H,13,14)/p+1
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3.70E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition against beta-glucosidase in sweet almond


Citation and Details
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens)
BDBM50285806
PNG
(5-benzylamino-3,4-dihydro-2H-2-pyrroliumylmethanol)
Show SMILES OCC1CCC(NCc2ccccc2)=[NH+]1
Show InChI InChI=1S/C12H16N2O/c15-9-11-6-7-12(14-11)13-8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,13,14)/p+1
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4.00E+6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition against beta-glucosidase in sweet almond


Citation and Details
More data for this
Ligand-Target Pair