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Compile Data Set for Download or QSAR

Found 17 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
NCI pathway
KEGG

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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


Citation and Details
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
NCI pathway
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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


Citation and Details
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
NCI pathway
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Article
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


Citation and Details
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
NCI pathway
KEGG

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Article
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


Citation and Details
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
NCI pathway
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Article
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


Citation and Details
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
NCI pathway
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Article
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
NCI pathway
KEGG

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Article
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
NCI pathway
KEGG

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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
NCI pathway
KEGG

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Article
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.


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
NCI pathway
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PubMed
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)
NCI pathway
KEGG

UniProtKB/SwissProt

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PubMed
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
NCI pathway
KEGG

UniProtKB/SwissProt

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PubMed
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
NCI pathway
KEGG

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Article
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
NCI pathway
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PubMed
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
NCI pathway
KEGG

UniProtKB/SwissProt

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Article
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
NCI pathway
KEGG

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Article
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
NCI pathway
KEGG

UniProtKB/SwissProt

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Article
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