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Compile Data Set for Download or QSAR

Found 9 hits of ki data for polymerid = 5996   
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 A (α-Gal A)


(Homo sapiens (Human))
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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Article
PubMed
500n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Competitive inhibition of human lysosome alpha-galactosidase by Lineweaver-Burk plot analysis


Bioorg Med Chem 18: 3790-4 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
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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1.80E+4n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Compound tested for inhibition of alpha-galactosidase from Aspergillus niger


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
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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6.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of alpha-galactosidase from green coffee beans.


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

More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM50137351
PNG
(2-(R)-Amino-3-(3,4,5,6-tetrahydroxy-tetrahydro-pyr...)
Show SMILES C[C@@H](OCC1OC(O)C(O)C(O)C1O)[C@H](N)C(O)=O
Show InChI InChI=1S/C10H19NO8/c1-3(5(11)9(15)16)18-2-4-6(12)7(13)8(14)10(17)19-4/h3-8,10,12-14,17H,2,11H2,1H3,(H,15,16)/t3-,4?,5+,6?,7?,8?,10?/m1/s1
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3.00E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Compound tested for inhibition of alpha-galactosidase from Aspergillus niger


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM50137350
PNG
(2-Amino-3-(3,4,5,6-tetrahydroxy-tetrahydro-pyran-2...)
Show SMILES N[C@@H](COCC1OC(O)C(O)C(O)C1O)C(O)=O
Show InChI InChI=1S/C9H17NO8/c10-3(8(14)15)1-17-2-4-5(11)6(12)7(13)9(16)18-4/h3-7,9,11-13,16H,1-2,10H2,(H,14,15)/t3-,4?,5?,6?,7?,9?/m0/s1
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4.00E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Compound tested for inhibition of alpha-galactosidase from Aspergillus niger


Citation and Details
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50150471
PNG
(CHEMBL3770764)
Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/s2
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>2.00E+6n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50150470
PNG
(CHEMBL3771185)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1/C22H33N3O5S/c1-25(2)19-10-5-8-16-15(19)7-6-11-21(16)31(29,30)24-12-4-3-9-18-17(14-26)22(28)20(27)13-23-18/h5-8,10-11,17-18,20,22-24,26-28H,3-4,9,12-14H2,1-2H3/t17-,18+,20+,22-/s2
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>2.00E+6n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50150472
PNG
(CHEMBL3770736)
Show SMILES NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1/C10H22N2O3/c11-4-2-1-3-8-7(6-13)10(15)9(14)5-12-8/h7-10,12-15H,1-6,11H2/t7-,8+,9+,10-/s2
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>2.00E+6n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...


Citation and Details
More data for this
Ligand-Target Pair