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Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'rose' and Initial = 'dr'   
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
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM84868
PNG
(Swainsonine derivative, 3)
Show SMILES Cc1ccc(cc1)C(=O)C[C@H]1CC[C@@H](O)C2[C@H](O)[C@H](O)CN12 |r|
Show InChI InChI=1S/C17H23NO4/c1-10-2-4-11(5-3-10)14(20)8-12-6-7-13(19)16-17(22)15(21)9-18(12)16/h2-5,12-13,15-17,19,21-22H,6-9H2,1H3/t12-,13-,15-,16?,17-/m1/s1
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2.70 -48.9 29n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM84869
PNG
(Swainsonine derivative, 4)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C[C@H]1CC[C@@H](O)C2[C@H](O)[C@H](O)CN12 |r|
Show InChI InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15-,17-,18?,19-/m1/s1
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2.70 -48.9 29n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM84867
PNG
(Swainsonine derivative, 2)
Show SMILES O[C@@H]1CN2C([C@@H]1O)[C@H](O)CC[C@@H]2CC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C16H21NO4/c18-12-7-6-11(17-9-14(20)16(21)15(12)17)8-13(19)10-4-2-1-3-5-10/h1-5,11-12,14-16,18,20-21H,6-9H2/t11-,12-,14-,15?,16-/m1/s1
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2.80 -48.8 30n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O |r|
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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3 -48.6 37n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sucrase-isomaltase, intestinal


(Homo sapiens (Human))
BDBM50327504
PNG
(1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...)
Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1
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7n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6491-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.069
BindingDB Entry DOI: 10.7270/Q2Q81DHZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50327503
PNG
((1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-((...)
Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23O8S/c12-1-5(14)10(18)11(19)7(16)4-20-3-6(15)9(17)8(20)2-13/h5-19H,1-4H2/q+1/t5-,6-,7-,8-,9+,10-,11-,20+/m1/s1
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15n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal domain of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem Lett 20: 5686-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.020
BindingDB Entry DOI: 10.7270/Q2WQ0411
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50330961
PNG
((2R,3S,4S)-1-((2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahyd...)
Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[Se+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C12H25O9Se/c13-1-5(15)10(19)12(21)11(20)7(17)4-22-3-6(16)9(18)8(22)2-14/h5-21H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,12+,22?/m0/s1
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20n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem 18: 7794-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.059
BindingDB Entry DOI: 10.7270/Q2TT4RZH
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50330954
PNG
(CHEMBL1276973 | de-O-sulfonated kotalanol)
Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C12H25O9S/c13-1-5(15)10(19)12(21)11(20)7(17)4-22-3-6(16)9(18)8(22)2-14/h5-21H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,12+,22?/m0/s1
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30n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem 18: 7794-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.059
BindingDB Entry DOI: 10.7270/Q2TT4RZH
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Homo sapiens (Human))
BDBM50327504
PNG
(1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...)
Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1
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35n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6491-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.069
BindingDB Entry DOI: 10.7270/Q2Q81DHZ
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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36n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


Chembiochem 10: 268-77 (2009)


Article DOI: 10.1002/cbic.200800538
BindingDB Entry DOI: 10.7270/Q2DZ06T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50327502
PNG
((1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-((...)
Show SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23O8S/c12-1-5(14)10(18)11(19)7(16)4-20-3-6(15)9(17)8(20)2-13/h5-19H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,20-/m0/s1
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43n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal maltase-glucoamylase


Bioorg Med Chem Lett 21: 6491-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.069
BindingDB Entry DOI: 10.7270/Q2Q81DHZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50327502
PNG
((1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-((...)
Show SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23O8S/c12-1-5(14)10(18)11(19)7(16)4-20-3-6(15)9(17)8(20)2-13/h5-19H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,20-/m0/s1
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43n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal domain of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem Lett 20: 5686-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.020
BindingDB Entry DOI: 10.7270/Q2WQ0411
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50330960
PNG
((2R,3R,4R)-1-((2R,3R,4S,5R,6S)-2,3,4,5,6,7-hexahyd...)
Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C12H25NO9/c14-3-5-9(19)6(16)1-13(5)2-7(17)10(20)12(22)11(21)8(18)4-15/h5-12,14-22H,1-4H2/t5-,6-,7-,8+,9-,10-,11-,12+/m1/s1
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60n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem 18: 7794-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.059
BindingDB Entry DOI: 10.7270/Q2TT4RZH
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM50088625
PNG
((1R,2R,3R,4S,5R)-4-Amino-5-methoxy-cyclopentane-1,...)
Show SMILES CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO4/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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76n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


Chembiochem 10: 268-77 (2009)


Article DOI: 10.1002/cbic.200800538
BindingDB Entry DOI: 10.7270/Q2DZ06T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50330959
PNG
(CHEMBL1277153)
Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[Se+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C12H24O12SSe/c13-1-5(15)10(19)11(20)12(24-25(21,22)23)7(17)4-26-3-6(16)9(18)8(26)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,12+,26?/m0/s1
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80n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem 18: 7794-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.059
BindingDB Entry DOI: 10.7270/Q2TT4RZH
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50316180
PNG
((1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-...)
Show SMILES OC[C@H](O)[C@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10-,11+,12+,25?/m0/s1
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100n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human maltase glucoamylase N-terminal catalytic domain


Bioorg Med Chem 18: 2829-35 (2010)


Article DOI: 10.1016/j.bmc.2010.03.027
BindingDB Entry DOI: 10.7270/Q22B8Z5J
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Homo sapiens (Human))
BDBM50327502
PNG
((1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-((...)
Show SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23O8S/c12-1-5(14)10(18)11(19)7(16)4-20-3-6(15)9(17)8(20)2-13/h5-19H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,20-/m0/s1
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103n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6491-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.069
BindingDB Entry DOI: 10.7270/Q2Q81DHZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50316181
PNG
((1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-...)
Show SMILES OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-,25?/m1/s1
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130n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human maltase glucoamylase N-terminal catalytic domain


Bioorg Med Chem 18: 2829-35 (2010)


Article DOI: 10.1016/j.bmc.2010.03.027
BindingDB Entry DOI: 10.7270/Q22B8Z5J
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM84614
PNG
(Mannostatin B, 2)
Show SMILES CS(=O)[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H13NO4S/c1-12(11)6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+,12?/m0/s1
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150n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


Chembiochem 10: 268-77 (2009)


Article DOI: 10.1002/cbic.200800538
BindingDB Entry DOI: 10.7270/Q2DZ06T7
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50327501
PNG
(CHEMBL1258528 | ponkoranol)
Show SMILES OC[C@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H22O11S2/c12-1-5(14)10(18)11(22-24(19,20)21)7(16)4-23-3-6(15)9(17)8(23)2-13/h5-18H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,23-/m0/s1
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170n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal domain of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem Lett 20: 5686-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.020
BindingDB Entry DOI: 10.7270/Q2WQ0411
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50316179
PNG
((1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-...)
Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,12+,25?/m0/s1
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190n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem 18: 7794-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.059
BindingDB Entry DOI: 10.7270/Q2TT4RZH
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50316179
PNG
((1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-...)
Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,12+,25?/m0/s1
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190n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human maltase glucoamylase N-terminal catalytic domain


Bioorg Med Chem 18: 2829-35 (2010)


Article DOI: 10.1016/j.bmc.2010.03.027
BindingDB Entry DOI: 10.7270/Q22B8Z5J
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50316178
PNG
(1,4-Dideoxy-1,4-[[2S,3S,4R,5R,6R-2,4,5,6,7-pentahy...)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)11(20)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)8(25)2-14/h5-20H,1-4H2/t5-,6-,7-,8-,9+,10-,11-,12-,25?/m1/s1
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200n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human maltase glucoamylase N-terminal catalytic domain


Bioorg Med Chem 18: 2829-35 (2010)


Article DOI: 10.1016/j.bmc.2010.03.027
BindingDB Entry DOI: 10.7270/Q22B8Z5J
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM84615
PNG
(Mannostatin analogue, 4a)
Show SMILES N[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2-,3-,4+,5-/m1/s1
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300n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


Chembiochem 10: 268-77 (2009)


Article DOI: 10.1002/cbic.200800538
BindingDB Entry DOI: 10.7270/Q2DZ06T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sucrase-isomaltase, intestinal


(Homo sapiens (Human))
BDBM50327502
PNG
((1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-1-((...)
Show SMILES OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23O8S/c12-1-5(14)10(18)11(19)7(16)4-20-3-6(15)9(17)8(20)2-13/h5-19H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,20-/m0/s1
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302n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6491-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.069
BindingDB Entry DOI: 10.7270/Q2Q81DHZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50327504
PNG
(1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...)
Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1
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500n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal maltase-glucoamylase by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 6491-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.069
BindingDB Entry DOI: 10.7270/Q2Q81DHZ
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50327504
PNG
(1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...)
Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1
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500n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal domain of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem Lett 20: 5686-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.020
BindingDB Entry DOI: 10.7270/Q2WQ0411
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50327504
PNG
(1,4-Dideoxy-1,4-[[2S,3S,4R,5S]-2,4,5,6-tetrahydrox...)
Show SMILES CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C12H25O8S/c1-20-12(11(19)6(15)2-13)8(17)5-21-4-7(16)10(18)9(21)3-14/h6-19H,2-5H2,1H3/q+1/t6-,7+,8+,9+,10-,11+,12+,21-/m0/s1
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500n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal maltase-glucoamylase


Bioorg Med Chem Lett 21: 6491-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.069
BindingDB Entry DOI: 10.7270/Q2Q81DHZ
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50263049
PNG
((3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-pheny...)
Show SMILES CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r|
Show InChI InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1
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550n/an/an/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LNZ308 cells


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50263049
PNG
((3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-pheny...)
Show SMILES CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r|
Show InChI InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1
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670n/an/an/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human HCEC


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50330955
PNG
((1S,2S)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymeth...)
Show SMILES OC[C@H](OS([O-])(=O)=O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C9H18O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2/t5-,6-,7+,8-,9+,19-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem 18: 7794-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.059
BindingDB Entry DOI: 10.7270/Q2TT4RZH
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
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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1.00E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem 18: 7794-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.059
BindingDB Entry DOI: 10.7270/Q2TT4RZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50330957
PNG
(7'-[(1,5-Dideoxy-1,5-imino-D-glucitol)-5-N-ammoniu...)
Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C13H27NO10/c15-3-5-9(20)10(21)6(17)1-14(5)2-7(18)11(22)13(24)12(23)8(19)4-16/h5-13,15-24H,1-4H2/t5-,6+,7-,8+,9-,10-,11-,12-,13+/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem 18: 7794-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.059
BindingDB Entry DOI: 10.7270/Q2TT4RZH
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50330956
PNG
(7'-[(1,5-Dideoxy-1,5-imino-D-glucitol)-5-N-ammoniu...)
Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[NH+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C13H27NO13S/c15-3-5-9(20)10(21)6(17)1-14(5)2-7(18)13(27-28(24,25)26)12(23)11(22)8(19)4-16/h5-13,15-23H,1-4H2,(H,24,25,26)/t5-,6+,7-,8+,9-,10-,11-,12-,13-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem 18: 7794-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.059
BindingDB Entry DOI: 10.7270/Q2TT4RZH
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50263049
PNG
((3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-pheny...)
Show SMILES CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r|
Show InChI InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LN18 cells


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50168988
PNG
((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...)
Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1
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2.33E+4n/an/an/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human HCEC


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50168988
PNG
((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...)
Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1
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3.25E+4n/an/an/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LN18 cells


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50168988
PNG
((2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO...)
Show SMILES OC[C@H](NC[C@H]1NC[C@H](O)[C@@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C13H20N2O3/c16-8-11(9-4-2-1-3-5-9)14-6-10-13(18)12(17)7-15-10/h1-5,10-18H,6-8H2/t10-,11+,12+,13-/m1/s1
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4.15E+4n/an/an/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LNZ308 cells


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Maltase-glucoamylase


(Homo sapiens (Human))
BDBM50330958
PNG
((2R,3R,4R,5R,6S)-1-((2R,3R,4R)-3,4-dihydroxy-2-(hy...)
Show SMILES OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)C[NH+]1C[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C12H25NO12S/c14-3-5-9(19)6(16)1-13(5)2-7(17)12(25-26(22,23)24)11(21)10(20)8(18)4-15/h5-12,14-21H,1-4H2,(H,22,23,24)/t5-,6-,7-,8+,9-,10-,11-,12-/m1/s1
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9.00E+4n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay


Bioorg Med Chem 18: 7794-8 (2010)


Article DOI: 10.1016/j.bmc.2010.09.059
BindingDB Entry DOI: 10.7270/Q2TT4RZH
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM50088627
PNG
((1S,2S,3R,4R)-4-Amino-cyclopentane-1,2,3-triol | (...)
Show SMILES N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1
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2.65E+5n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


Chembiochem 10: 268-77 (2009)


Article DOI: 10.1002/cbic.200800538
BindingDB Entry DOI: 10.7270/Q2DZ06T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O |r|
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human HCEC


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM84871
PNG
(Swainsonine derivative, 6)
Show SMILES CC(C)(C)c1ccc(CC[C@H]2CC[C@@H](O)C3[C@H](O)[C@H](O)CN23)cc1 |r|
Show InChI InChI=1S/C20H31NO3/c1-20(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16(22)18-19(24)17(23)12-21(15)18/h4-5,7-8,15-19,22-24H,6,9-12H2,1-3H3/t15-,16+,17+,18?,19+/m0/s1
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n/an/a 44n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O |r|
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LN18 cells


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM84872
PNG
(Swainsonine derivative, 7)
Show SMILES CC(C)(C)c1ccc(CC[C@@H]2CC[C@@H](O)C3[C@H](O)[C@H](O)CN23)cc1 |r|
Show InChI InChI=1S/C20H31NO3/c1-20(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16(22)18-19(24)17(23)12-21(15)18/h4-5,7-8,15-19,22-24H,6,9-12H2,1-3H3/t15-,16-,17-,18?,19-/m1/s1
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n/an/a 250n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Drosophila melanogaster (Fruit fly))
BDBM84870
PNG
(Swainsonine derivative, 5)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)C[C@@H]1CC[C@@H](O)C2[C@H](O)[C@H](O)CN12 |r|
Show InChI InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15+,17+,18?,19+/m0/s1
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n/an/a 250n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50263049
PNG
((3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-pheny...)
Show SMILES CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r|
Show InChI InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human HCEC


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50263049
PNG
((3R,4R,5R)-3,4-dihydroxy-5-(((R)-2-hydroxy-1-pheny...)
Show SMILES CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r|
Show InChI InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LNZ308 cells


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50263091
PNG
((R)-2-(((2R,3R,4R)-3,4-dihydroxy-1-methyl-5-oxopyr...)
Show SMILES CN1[C@H](CN[C@@H](COC(=O)c2ccc(Br)cc2)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |r|
Show InChI InChI=1S/C21H23BrN2O5/c1-24-17(18(25)19(26)20(24)27)11-23-16(13-5-3-2-4-6-13)12-29-21(28)14-7-9-15(22)10-8-14/h2-10,16-19,23,25-26H,11-12H2,1H3/t16-,17+,18+,19+/m0/s1
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n/an/a 750n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human HCEC


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50067661
PNG
(CHEMBL137706 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CCCCCCN(CCCCCC)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C31H53N4O8P/c1-7-9-11-13-19-35(20-14-12-10-8-2)31(39)23(5)32-30(38)28(22(3)4)34-29(37)27(33-24(6)36)21-25-15-17-26(18-16-25)43-44(40,41)42/h15-18,22-23,27-28H,7-14,19-21H2,1-6H3,(H,32,38)(H,33,36)(H,34,37)(H2,40,41,42)/t23-,27+,28+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity for SH2 domain of src in Sf9 insect cells


J Med Chem 41: 4329-42 (1998)


Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50067665
PNG
(CHEMBL137715 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C29H49N4O8P/c1-7-9-11-17-33(18-12-10-8-2)29(37)21(5)30-28(36)26(20(3)4)32-27(35)25(31-22(6)34)19-23-13-15-24(16-14-23)41-42(38,39)40/h13-16,20-21,25-26H,7-12,17-19H2,1-6H3,(H,30,36)(H,31,34)(H,32,35)(H2,38,39,40)/t21-,25+,26+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity for SH2 domain of src in Sf9 insect cells


J Med Chem 41: 4329-42 (1998)


Article DOI: 10.1021/jm9802766
BindingDB Entry DOI: 10.7270/Q2ZW1K2K
More data for this
Ligand-Target Pair
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