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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'martin' and Initial = 'o'   
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 acid glucosylceramidase


(Homo sapiens (Human))
BDBM50315250
PNG
((2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol | CHEM...)
Show SMILES CCCCCCCCC[C@H]1NC[C@@H](O)[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(16)10-15-11/h11-18H,2-10H2,1H3/t11-,12-,13+,14+/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as p-nitrophenolate accumulation preincubated for 10 mins before p-nitrophenyl-beta-...


Bioorg Med Chem 18: 2645-50 (2010)


Article DOI: 10.1016/j.bmc.2010.02.027
BindingDB Entry DOI: 10.7270/Q24F1QVM
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18364
PNG
((2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidi...)
Show SMILES CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-11-13(18)15(20)14(19)12(10-17)16-11/h11-20H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
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PubMed
200 -39.8 270n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
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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280 -38.9 500n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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300 -38.7 660n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18357
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-octylpiperidine-...)
Show SMILES CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1
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420 -37.9 820n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
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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2.30E+3 -33.5 4.20E+3n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18356
PNG
((2R,3R,4R,5S)-1-hexyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,2-8H2,1H3/t9-,10+,11-,12-/m1/s1
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5.50E+3 -31.2 1.30E+4n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(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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PubMed
7.90E+4 -24.4 2.40E+5n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
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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1.10E+5 -23.5 1.00E+5n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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1.16E+5 -23.4 2.70E+5n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-galactosidase


(Homo sapiens (Human))
BDBM50469238
PNG
(CHEMBL4288931)
Show SMILES CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3/t12-,13+,14+,15-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50156360
PNG
(2-Hydroxymethyl-6-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCC1NC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-11-13(18)15(20)14(19)12(10-17)16-11/h11-20H,2-10H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50469239
PNG
(CHEMBL4284436)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)CN[C@@H]1CCc1ccccc1 |r|
Show InChI InChI=1S/C14H21NO3/c16-9-11-12(15-8-13(17)14(11)18)7-6-10-4-2-1-3-5-10/h1-5,11-18H,6-9H2/t11-,12+,13+,14-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50315255
PNG
((2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol | CHEM...)
Show SMILES CCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-6-8-10(14)11(15)9(13)7-12-8/h8-15H,2-7H2,1H3/t8-,9-,10+,11+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as p-nitrophenolate accumulation preincubated for 10 mins before p-nitrophenyl-beta-...


Bioorg Med Chem 18: 2645-50 (2010)


Article DOI: 10.1016/j.bmc.2010.02.027
BindingDB Entry DOI: 10.7270/Q24F1QVM
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
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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n/an/a 20n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-glucopyranoside as subst...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase C


(Homo sapiens (Human))
BDBM50082234
PNG
((3R,4R,5S)-2,6-Bis-hydroxymethyl-piperidine-3,4,5-...)
Show SMILES OCC1NC(CO)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3?,4?,5-,6+,7+
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n/an/a 22n/an/an/an/an/an/a



Institut de Chimie Organique et Analytique (I.C.O.A.)

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-galactosidase from coffee bean.


Bioorg Med Chem Lett 9: 3171-4 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MDZ
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50469238
PNG
(CHEMBL4288931)
Show SMILES CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3/t12-,13+,14+,15-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-glucopyranoside as subst...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Putative alpha-glucosidase


(Oryza sativa subsp. japonica)
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 50n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-Glucosidase from rice


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to CREBBPA (domain start/stop: R1081-G1197) by alphascreen assay


Proc Natl Acad Sci U S A 112: 10768-73 (2015)


Article DOI: 10.1073/pnas.1501956112
BindingDB Entry DOI: 10.7270/Q2NG4V7B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|
Show InChI InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to CREBBPA (domain start/stop: R1081-G1197) by alphascreen assay


Proc Natl Acad Sci U S A 112: 10768-73 (2015)


Article DOI: 10.1073/pnas.1501956112
BindingDB Entry DOI: 10.7270/Q2NG4V7B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 73n/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS (UMR 7509)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant serum BuchE using butyrylthiocholine iodide as substrate by Ellman method


Bioorg Med Chem Lett 25: 830-3 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.071
BindingDB Entry DOI: 10.7270/Q22B90QH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Putative alpha-glucosidase


(Oryza sativa subsp. japonica)
BDBM50156359
PNG
(2-Hydroxymethyl-1-octyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-Glucosidase from rice


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Putative alpha-glucosidase


(Oryza sativa subsp. japonica)
BDBM50156357
PNG
(2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-Glucosidase from rice


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50156356
PNG
(2-Hydroxymethyl-6-octyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCC1NC(CO)C(O)C(O)C1O
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
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n/an/a 90n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit alpha


(Homo sapiens (Human))
BDBM50235813
PNG
(CHEMBL4097052)
Show SMILES CC(=O)N[C@H]1[C@@H](COCCCCc2ccccc2)N[C@H](CO)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H30N2O5/c1-13(23)20-17-16(21-15(11-22)18(24)19(17)25)12-26-10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-19,21-22,24-25H,5-6,9-12H2,1H3,(H,20,23)/t15-,16-,17+,18-,19-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 136n/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS (UMR 7509)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylthiocholine iodide as substrate by Ellman method


Bioorg Med Chem Lett 25: 830-3 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.071
BindingDB Entry DOI: 10.7270/Q22B90QH
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50156355
PNG
(2-Butyl-6-hydroxymethyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCC1NC(CO)C(O)C(O)C1O
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
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n/an/a 150n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50235812
PNG
(CHEMBL4085739)
Show SMILES CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-9-8(7-13)11(15)10(14)6-12-9/h8-15H,2-7H2,1H3/t8-,9+,10+,11-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
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



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against rat intestinal sucrase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50156357
PNG
(2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3
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n/an/a 230n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r|
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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n/an/a 240n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 160-170 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.095
BindingDB Entry DOI: 10.7270/Q21G0PHR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens (Human))
BDBM50469237
PNG
(CHEMBL4281031)
Show SMILES C[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C7H15NO3/c1-4-5(3-9)7(11)6(10)2-8-4/h4-11H,2-3H2,1H3/t4-,5+,6-,7+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Universit£ d'Orl£ans & CNRS

Curated by ChEMBL


Assay Description
Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as s...


Bioorg Med Chem 26: 5462-5469 (2018)


Article DOI: 10.1016/j.bmc.2018.09.023
BindingDB Entry DOI: 10.7270/Q2G73HFJ
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50156359
PNG
(2-Hydroxymethyl-1-octyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
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



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against rat intestinal isomaltase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50156353
PNG
(2-Hexyl-6-hydroxymethyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCC1NC(CO)C(O)C(O)C1O
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
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n/an/a 310n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase C


(Mus musculus)
BDBM50259956
PNG
(2,6-Bis-hydroxymethyl-piperidine-3,4,5-triol | CHE...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1
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Institut de Chimie Organique et Analytique (I.C.O.A.)

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-glucosidase from rat intestinal maltase


Bioorg Med Chem Lett 9: 3171-4 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MDZ
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 360n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against rat intestinal maltase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Putative alpha-glucosidase


(Oryza sativa subsp. japonica)
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-Glucosidase from rice


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50156354
PNG
(1-Hexyl-2-hydroxymethyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,2-8H2,1H3
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n/an/a 450n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50156354
PNG
(1-Hexyl-2-hydroxymethyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,2-8H2,1H3
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n/an/a 450n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 484n/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS (UMR 7509)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AchE using acetylthiocholine iodide as substrate by Ellman method


Bioorg Med Chem Lett 25: 830-3 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.071
BindingDB Entry DOI: 10.7270/Q22B90QH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50156358
PNG
(2-Hydroxymethyl-6-propyl-piperidine-3,4,5-triol | ...)
Show SMILES CCCC1NC(CO)C(O)C(O)C1O
Show InChI InChI=1S/C9H19NO4/c1-2-3-5-7(12)9(14)8(13)6(4-11)10-5/h5-14H,2-4H2,1H3
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n/an/a 530n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50315252
PNG
((2R,3S,4S,5R)-2-propylpiperidine-3,4,5-triol | CHE...)
Show SMILES CCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C8H17NO3/c1-2-3-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
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n/an/a 560n/an/an/an/an/an/a



Universit£ d'Orl£ans& CNRS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant beta-glucocerebrosidase assessed as p-nitrophenolate accumulation preincubated for 10 mins before p-nitrophenyl-beta-...


Bioorg Med Chem 18: 2645-50 (2010)


Article DOI: 10.1016/j.bmc.2010.02.027
BindingDB Entry DOI: 10.7270/Q24F1QVM
More data for this
Ligand-Target Pair
Putative alpha-glucosidase


(Oryza sativa subsp. japonica)
BDBM50156356
PNG
(2-Hydroxymethyl-6-octyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCC1NC(CO)C(O)C(O)C1O
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
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n/an/a 590n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-Glucosidase from rice


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50156359
PNG
(2-Hydroxymethyl-1-octyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3
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n/an/a 660n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50156357
PNG
(2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3
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n/an/a 660n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Putative alpha-glucosidase


(Oryza sativa subsp. japonica)
BDBM50156354
PNG
(1-Hexyl-2-hydroxymethyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,2-8H2,1H3
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n/an/a 700n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-Glucosidase from rice


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Putative alpha-glucosidase


(Oryza sativa subsp. japonica)
BDBM50156353
PNG
(2-Hexyl-6-hydroxymethyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCC1NC(CO)C(O)C(O)C1O
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
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n/an/a 800n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-Glucosidase from rice


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
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