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Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'koseki' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50333455
PNG
((2S,3S,4S,5S)-2-butyl-5-(hydroxymethyl)pyrrolidine...)
Show SMILES CCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H19NO3/c1-2-3-4-6-8(12)9(13)7(5-11)10-6/h6-13H,2-5H2,1H3/t6-,7-,8-,9-/m0/s1
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85n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestinal maltase by Lineweaver-Burk plot analysis


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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460n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestinal maltase by Lineweaver-Burk plot analysis


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50333455
PNG
((2S,3S,4S,5S)-2-butyl-5-(hydroxymethyl)pyrrolidine...)
Show SMILES CCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H19NO3/c1-2-3-4-6-8(12)9(13)7(5-11)10-6/h6-13H,2-5H2,1H3/t6-,7-,8-,9-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 100n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50333457
PNG
((2S,3S,4S,5S)-2-hexyl-5-(hydroxymethyl)pyrrolidine...)
Show SMILES CCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-6-8-10(14)11(15)9(7-13)12-8/h8-15H,2-7H2,1H3/t8-,9-,10-,11-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50263044
PNG
(CHEMBL476960 | Voglibose)
Show SMILES OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM18363
PNG
((2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-octylpiperidi...)
Show SMILES CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-10-12(17)14(19)13(18)11(9-16)15-10/h10-19H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using isomoltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50333455
PNG
((2S,3S,4S,5S)-2-butyl-5-(hydroxymethyl)pyrrolidine...)
Show SMILES CCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H19NO3/c1-2-3-4-6-8(12)9(13)7(5-11)10-6/h6-13H,2-5H2,1H3/t6-,7-,8-,9-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50363064
PNG
(CHEMBL1944855)
Show SMILES COc1ccc2n(CC(O)=O)c3c(CCN(Cc4ccccc4)C3=S)c2c1
Show InChI InChI=1S/C21H20N2O3S/c1-26-15-7-8-18-17(11-15)16-9-10-22(12-14-5-3-2-4-6-14)21(27)20(16)23(18)13-19(24)25/h2-8,11H,9-10,12-13H2,1H3,(H,24,25)
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n/an/a 150n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50363053
PNG
(CHEMBL1944862)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(ccc12)C(O)=O
Show InChI InChI=1S/C21H18N2O4S/c24-18(25)12-23-17-7-6-14(21(26)27)10-16(17)15-8-9-22(20(28)19(15)23)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,24,25)(H,26,27)
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n/an/a 170n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
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 |r,t:37|
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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n/an/a 180n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50399654
PNG
(CHEMBL2177691)
Show SMILES CC(C)CCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H23NO3/c1-7(2)4-3-5-8-10(14)11(15)9(6-13)12-8/h7-15H,3-6H2,1-2H3/t8-,9-,10-,11-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50363063
PNG
(CHEMBL1944854)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(I)ccc12
Show InChI InChI=1S/C20H17IN2O2S/c21-14-6-7-17-16(10-14)15-8-9-22(11-13-4-2-1-3-5-13)20(26)19(15)23(17)12-18(24)25/h1-7,10H,8-9,11-12H2,(H,24,25)
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n/an/a 190n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50333456
PNG
((2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidin...)
Show SMILES CCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H21NO3/c1-2-3-4-5-7-9(13)10(14)8(6-12)11-7/h7-14H,2-6H2,1H3/t7-,8-,9-,10-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50363066
PNG
(CHEMBL1944857)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2c(Cl)cc(Cl)cc12
Show InChI InChI=1S/C20H16Cl2N2O2S/c21-13-8-15(22)18-14-6-7-23(10-12-4-2-1-3-5-12)20(27)19(14)24(11-17(25)26)16(18)9-13/h1-5,8-9H,6-7,10-11H2,(H,25,26)
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n/an/a 190n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50363070
PNG
(CHEMBL1944861)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(O)ccc12
Show InChI InChI=1S/C20H18N2O3S/c23-14-6-7-17-16(10-14)15-8-9-21(11-13-4-2-1-3-5-13)20(26)19(15)22(17)12-18(24)25/h1-7,10,23H,8-9,11-12H2,(H,24,25)
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n/an/a 200n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50363065
PNG
(CHEMBL1944856)
Show SMILES CC(C)c1ccc2n(CC(O)=O)c3c(CCN(Cc4ccccc4)C3=S)c2c1
Show InChI InChI=1S/C23H24N2O2S/c1-15(2)17-8-9-20-19(12-17)18-10-11-24(13-16-6-4-3-5-7-16)23(28)22(18)25(20)14-21(26)27/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,26,27)
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n/an/a 200n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
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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n/an/a 210n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50399655
PNG
(CHEMBL2177690)
Show SMILES OC[C@@H]1N[C@@H](CCCCc2ccccc2)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H23NO3/c17-10-13-15(19)14(18)12(16-13)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-19H,4-5,8-10H2/t12-,13-,14-,15-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50363054
PNG
(CHEMBL1946959)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2ccccc12
Show InChI InChI=1S/C20H18N2O2S/c23-18(24)13-22-17-9-5-4-8-15(17)16-10-11-21(20(25)19(16)22)12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24)
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n/an/a 220n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50363055
PNG
(CHEMBL1946960)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(F)ccc12
Show InChI InChI=1S/C20H17FN2O2S/c21-14-6-7-17-16(10-14)15-8-9-22(11-13-4-2-1-3-5-13)20(26)19(15)23(17)12-18(24)25/h1-7,10H,8-9,11-12H2,(H,24,25)
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n/an/a 230n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50363061
PNG
(CHEMBL1946966)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H17ClN2O2S/c21-14-6-7-15-16-8-9-22(11-13-4-2-1-3-5-13)20(26)19(16)23(12-18(24)25)17(15)10-14/h1-7,10H,8-9,11-12H2,(H,24,25)
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n/an/a 240n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50399654
PNG
(CHEMBL2177691)
Show SMILES CC(C)CCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H23NO3/c1-7(2)4-3-5-8-10(14)11(15)9(6-13)12-8/h7-15H,3-6H2,1-2H3/t8-,9-,10-,11-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50333458
PNG
((2S,3S,4S,5S)-2-heptyl-5-(hydroxymethyl)pyrrolidin...)
Show SMILES CCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-9-11(15)12(16)10(8-14)13-9/h9-16H,2-8H2,1H3/t9-,10-,11-,12-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50333454
PNG
((2S,3S,4S,5S)-2-(hydroxymethyl)-5-propylpyrrolidin...)
Show SMILES CCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C8H17NO3/c1-2-3-5-7(11)8(12)6(4-10)9-5/h5-12H,2-4H2,1H3/t5-,6-,7-,8-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B10


(Homo sapiens (Human))
BDBM50363057
PNG
(CHEMBL1946962)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccc(Br)cc3F)C2=S)c2cc(F)ccc12
Show InChI InChI=1S/C20H15BrF2N2O2S/c21-12-2-1-11(16(23)7-12)9-24-6-5-14-15-8-13(22)3-4-17(15)25(10-18(26)27)19(14)20(24)28/h1-4,7-8H,5-6,9-10H2,(H,26,27)
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n/an/a 280n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
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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n/an/a 300n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using isomoltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM18362
PNG
((2R,3S,4R,5R,6R)-2-hexyl-6-(hydroxymethyl)piperidi...)
Show SMILES CCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-8-10(15)12(17)11(16)9(7-14)13-8/h8-17H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using isomoltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50399655
PNG
(CHEMBL2177690)
Show SMILES OC[C@@H]1N[C@@H](CCCCc2ccccc2)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H23NO3/c17-10-13-15(19)14(18)12(16-13)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12-19H,4-5,8-10H2/t12-,13-,14-,15-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50333459
PNG
((2S,3S,4S,5S)-2-(hydroxymethyl)-5-octylpyrrolidine...)
Show SMILES CCCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-8-10-12(16)13(17)11(9-15)14-10/h10-17H,2-9H2,1H3/t10-,11-,12-,13-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50363060
PNG
(CHEMBL1946965)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(Br)ccc12
Show InChI InChI=1S/C20H17BrN2O2S/c21-14-6-7-17-16(10-14)15-8-9-22(11-13-4-2-1-3-5-13)20(26)19(15)23(17)12-18(24)25/h1-7,10H,8-9,11-12H2,(H,24,25)
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n/an/a 320n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B10


(Homo sapiens (Human))
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 330n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50363062
PNG
(CHEMBL1944853)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H17ClN2O2S/c21-14-6-7-17-16(10-14)15-8-9-22(11-13-4-2-1-3-5-13)20(26)19(15)23(17)12-18(24)25/h1-7,10H,8-9,11-12H2,(H,24,25)
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n/an/a 350n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
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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n/an/a 360n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50375511
PNG
(CHEMBL406973)
Show SMILES OC[C@@H]1NC[C@H](O)[C@H]1O
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using isomoltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50263044
PNG
(CHEMBL476960 | Voglibose)
Show SMILES OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50333458
PNG
((2S,3S,4S,5S)-2-heptyl-5-(hydroxymethyl)pyrrolidin...)
Show SMILES CCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-9-11(15)12(16)10(8-14)13-9/h9-16H,2-8H2,1H3/t9-,10-,11-,12-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B10


(Homo sapiens (Human))
BDBM50363069
PNG
(CHEMBL1944860)
Show SMILES OC(=O)Cn1c2c(CCN(CCc3ccccc3)C2=S)c2c(F)cc(F)cc12
Show InChI InChI=1S/C21H18F2N2O2S/c22-14-10-16(23)19-15-7-9-24(8-6-13-4-2-1-3-5-13)21(28)20(15)25(12-18(26)27)17(19)11-14/h1-5,10-11H,6-9,12H2,(H,26,27)
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n/an/a 400n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50333459
PNG
((2S,3S,4S,5S)-2-(hydroxymethyl)-5-octylpyrrolidine...)
Show SMILES CCCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-8-10-12(16)13(17)11(9-15)14-10/h10-17H,2-9H2,1H3/t10-,11-,12-,13-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM18361
PNG
((2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidi...)
Show SMILES CCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-6-8(13)10(15)9(14)7(5-12)11-6/h6-15H,2-5H2,1H3/t6-,7-,8+,9-,10-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using isomoltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B10


(Homo sapiens (Human))
BDBM50363067
PNG
(CHEMBL1944858)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2c(F)cc(F)cc12
Show InChI InChI=1S/C20H16F2N2O2S/c21-13-8-15(22)18-14-6-7-23(10-12-4-2-1-3-5-12)20(27)19(14)24(11-17(25)26)16(18)9-13/h1-5,8-9H,6-7,10-11H2,(H,25,26)
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n/an/a 480n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50333457
PNG
((2S,3S,4S,5S)-2-hexyl-5-(hydroxymethyl)pyrrolidine...)
Show SMILES CCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-6-8-10(14)11(15)9(7-13)12-8/h8-15H,2-7H2,1H3/t8-,9-,10-,11-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50375510
PNG
(CHEMBL405957)
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-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50399650
PNG
(CHEMBL2177689)
Show SMILES C[C@@]1(CO)NC[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c1-6(3-8)5(10)4(9)2-7-6/h4-5,7-10H,2-3H2,1H3/t4-,5+,6-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50399653
PNG
(CHEMBL2177692)
Show SMILES CCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H19NO4/c1-2-3-6(12)7-9(14)8(13)5(4-11)10-7/h5-14H,2-4H2,1H3/t5-,6-,7-,8-,9-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50333453
PNG
((2S,3S,4S,5S)-2-ethyl-5-(hydroxymethyl)pyrrolidine...)
Show SMILES CC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C7H15NO3/c1-2-4-6(10)7(11)5(3-9)8-4/h4-11H,2-3H2,1H3/t4-,5-,6-,7-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B10


(Homo sapiens (Human))
BDBM50363072
PNG
(CHEMBL1944852)
Show SMILES OC(=O)Cn1c2c(CCN(Cc3ccc(Br)cc3F)C2=S)c2ccccc12
Show InChI InChI=1S/C20H16BrFN2O2S/c21-13-6-5-12(16(22)9-13)10-23-8-7-15-14-3-1-2-4-17(14)24(11-18(25)26)19(15)20(23)27/h1-6,9H,7-8,10-11H2,(H,25,26)
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antibodypedia
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n/an/a 680n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry


Bioorg Med Chem 20: 356-67 (2011)


Article DOI: 10.1016/j.bmc.2011.10.073
BindingDB Entry DOI: 10.7270/Q2N58MTG
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50333456
PNG
((2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidin...)
Show SMILES CCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H21NO3/c1-2-3-4-5-7-9(13)10(14)8(6-12)11-7/h7-14H,2-6H2,1H3/t7-,8-,9-,10-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50375510
PNG
(CHEMBL405957)
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-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using isomoltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50333461
PNG
((2S,3S,4S,5S)-2-(hydroxymethyl)-5-nonylpyrrolidine...)
Show SMILES CCCCCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-11-13(17)14(18)12(10-16)15-11/h11-18H,2-10H2,1H3/t11-,12-,13-,14-/m0/s1
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n/an/a 840n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
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