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Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'chopade' and Initial = 'ba'   
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


(Mus musculus (Mouse))
BDBM50401967
PNG
(CHEMBL2207959)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Br)cc1 |c:12,14|
Show InChI InChI=1S/C19H12BrN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 1.41E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401976
PNG
(CHEMBL2203334)
Show SMILES Brc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C18H10BrN3S/c19-13-7-5-12(6-8-13)15-11-14(9-10-20)22-16-3-1-2-4-17(16)23-18(22)21-15/h1-9,11H/b14-9+
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n/an/a 1.53E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425183
PNG
(CHEMBL2313583)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(Br)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H17BrN2O2S2/c1-3-24-14-8-9-15-17(10-14)26-19(21-15)22-18(25-2)11-16(23)12-4-6-13(20)7-5-12/h4-10H,3,11H2,1-2H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401973
PNG
(CHEMBL2207953)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc2ccccc2c1 |c:12,14|
Show InChI InChI=1S/C23H15N3OS/c1-27-19-8-9-21-22(14-19)28-23-25-20(13-18(10-11-24)26(21)23)17-7-6-15-4-2-3-5-16(15)12-17/h2-10,12-14H,1H3/b18-10+
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n/an/a 1.59E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425181
PNG
(CHEMBL2313585)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccccc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H18N2O2S2/c1-3-23-14-9-10-15-17(11-14)25-19(20-15)21-18(24-2)12-16(22)13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3
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n/an/a 1.63E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425180
PNG
(CHEMBL2313586)
Show SMILES CSC(CC(=O)c1ccc(Br)cc1)=Nc1nc2cc(C)c(C)cc2s1 |w:13.14|
Show InChI InChI=1S/C19H17BrN2OS2/c1-11-8-15-17(9-12(11)2)25-19(21-15)22-18(24-3)10-16(23)13-4-6-14(20)7-5-13/h4-9H,10H2,1-3H3
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n/an/a 1.69E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401967
PNG
(CHEMBL2207959)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Br)cc1 |c:12,14|
Show InChI InChI=1S/C19H12BrN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 1.74E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425182
PNG
(CHEMBL2313584)
Show SMILES CSC(CC(=O)c1ccc(Br)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C17H13BrN2OS2/c1-22-16(10-14(21)11-6-8-12(18)9-7-11)20-17-19-13-4-2-3-5-15(13)23-17/h2-9H,10H2,1H3
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n/an/a 1.78E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425178
PNG
(CHEMBL2313588)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(Cl)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H17ClN2O2S2/c1-3-24-14-8-9-15-17(10-14)26-19(21-15)22-18(25-2)11-16(23)12-4-6-13(20)7-5-12/h4-10H,3,11H2,1-2H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401970
PNG
(CHEMBL2207956)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(C)cc1 |c:12,14|
Show InChI InChI=1S/C20H15N3OS/c1-13-3-5-14(6-4-13)17-11-15(9-10-21)23-18-8-7-16(24-2)12-19(18)25-20(23)22-17/h3-9,11-12H,1-2H3/b15-9+
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n/an/a 1.83E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425176
PNG
(CHEMBL2313590)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(F)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H17FN2O2S2/c1-3-24-14-8-9-15-17(10-14)26-19(21-15)22-18(25-2)11-16(23)12-4-6-13(20)7-5-12/h4-10H,3,11H2,1-2H3
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n/an/a 1.84E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425175
PNG
(CHEMBL2313591)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(OC)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C20H20N2O3S2/c1-4-25-15-9-10-16-18(11-15)27-20(21-16)22-19(26-3)12-17(23)13-5-7-14(24-2)8-6-13/h5-11H,4,12H2,1-3H3
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n/an/a 1.86E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401968
PNG
(CHEMBL2207958)
Show SMILES CCOc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccccc1 |c:13,15|
Show InChI InChI=1S/C20H15N3OS/c1-2-24-16-8-9-18-19(13-16)25-20-22-17(14-6-4-3-5-7-14)12-15(10-11-21)23(18)20/h3-10,12-13H,2H2,1H3/b15-10+
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n/an/a 1.87E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401973
PNG
(CHEMBL2207953)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc2ccccc2c1 |c:12,14|
Show InChI InChI=1S/C23H15N3OS/c1-27-19-8-9-21-22(14-19)28-23-25-20(13-18(10-11-24)26(21)23)17-7-6-15-4-2-3-5-16(15)12-17/h2-10,12-14H,1H3/b18-10+
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n/an/a 1.87E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425184
PNG
(CHEMBL2313582)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(C)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C20H20N2O2S2/c1-4-24-15-9-10-16-18(11-15)26-20(21-16)22-19(25-3)12-17(23)14-7-5-13(2)6-8-14/h5-11H,4,12H2,1-3H3
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n/an/a 1.89E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401970
PNG
(CHEMBL2207956)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(C)cc1 |c:12,14|
Show InChI InChI=1S/C20H15N3OS/c1-13-3-5-14(6-4-13)17-11-15(9-10-21)23-18-8-7-16(24-2)12-19(18)25-20(23)22-17/h3-9,11-12H,1-2H3/b15-9+
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n/an/a 1.95E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401972
PNG
(CHEMBL2207954)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Cl)cc1 |c:12,14|
Show InChI InChI=1S/C19H12ClN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 1.97E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425177
PNG
(CHEMBL2313589)
Show SMILES CSC(CC(=O)c1ccc(F)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C17H13FN2OS2/c1-22-16(10-14(21)11-6-8-12(18)9-7-11)20-17-19-13-4-2-3-5-15(13)23-17/h2-9H,10H2,1H3
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n/an/a 1.99E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401974
PNG
(CHEMBL2207952)
Show SMILES N#C\C=C1/C=C(N=C2Sc3ccccc3N12)c1ccc2ccccc2c1 |c:4,t:6|
Show InChI InChI=1S/C22H13N3S/c23-12-11-18-14-19(17-10-9-15-5-1-2-6-16(15)13-17)24-22-25(18)20-7-3-4-8-21(20)26-22/h1-11,13-14H/b18-11+
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n/an/a 1.99E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401972
PNG
(CHEMBL2207954)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Cl)cc1 |c:12,14|
Show InChI InChI=1S/C19H12ClN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 2.02E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401971
PNG
(CHEMBL2207955)
Show SMILES Cc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C19H13N3S/c1-13-6-8-14(9-7-13)16-12-15(10-11-20)22-17-4-2-3-5-18(17)23-19(22)21-16/h2-10,12H,1H3/b15-10+
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n/an/a 2.03E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425179
PNG
(CHEMBL2313587)
Show SMILES CSC(CC(=O)c1ccc(Cl)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C17H13ClN2OS2/c1-22-16(10-14(21)11-6-8-12(18)9-7-11)20-17-19-13-4-2-3-5-15(13)23-17/h2-9H,10H2,1H3
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n/an/a 2.03E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425174
PNG
(CHEMBL2313592)
Show SMILES CSC(CC(=O)c1ccc(C)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C18H16N2OS2/c1-12-7-9-13(10-8-12)15(21)11-17(22-2)20-18-19-14-5-3-4-6-16(14)23-18/h3-10H,11H2,1-2H3
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n/an/a 2.06E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401975
PNG
(CHEMBL2207951)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(F)cc1 |c:12,14|
Show InChI InChI=1S/C19H12FN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 2.06E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50425174
PNG
(CHEMBL2313592)
Show SMILES CSC(CC(=O)c1ccc(C)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C18H16N2OS2/c1-12-7-9-13(10-8-12)15(21)11-17(22-2)20-18-19-14-5-3-4-6-16(14)23-18/h3-10H,11H2,1-2H3
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n/an/a 2.11E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pure alpha-glucosidase (unknown origin) assessed as para-nitrophenol release at 420 nm OD


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401975
PNG
(CHEMBL2207951)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(F)cc1 |c:12,14|
Show InChI InChI=1S/C19H12FN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 2.11E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401974
PNG
(CHEMBL2207952)
Show SMILES N#C\C=C1/C=C(N=C2Sc3ccccc3N12)c1ccc2ccccc2c1 |c:4,t:6|
Show InChI InChI=1S/C22H13N3S/c23-12-11-18-14-19(17-10-9-15-5-1-2-6-16(15)13-17)24-22-25(18)20-7-3-4-8-21(20)26-22/h1-11,13-14H/b18-11+
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n/an/a 2.12E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401968
PNG
(CHEMBL2207958)
Show SMILES CCOc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccccc1 |c:13,15|
Show InChI InChI=1S/C20H15N3OS/c1-2-24-16-8-9-18-19(13-16)25-20-22-17(14-6-4-3-5-7-14)12-15(10-11-21)23(18)20/h3-10,12-13H,2H2,1H3/b15-10+
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n/an/a 2.18E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401978
PNG
(CHEMBL2207949)
Show SMILES Clc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C18H10ClN3S/c19-13-7-5-12(6-8-13)15-11-14(9-10-20)22-16-3-1-2-4-17(16)23-18(22)21-15/h1-9,11H/b14-9+
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n/an/a 2.19E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401978
PNG
(CHEMBL2207949)
Show SMILES Clc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C18H10ClN3S/c19-13-7-5-12(6-8-13)15-11-14(9-10-20)22-16-3-1-2-4-17(16)23-18(22)21-15/h1-9,11H/b14-9+
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n/an/a 2.20E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401969
PNG
(CHEMBL2207957)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccccc1 |c:12,14|
Show InChI InChI=1S/C19H13N3OS/c1-23-15-7-8-17-18(12-15)24-19-21-16(13-5-3-2-4-6-13)11-14(9-10-20)22(17)19/h2-9,11-12H,1H3/b14-9+
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n/an/a 2.23E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401979
PNG
(CHEMBL2207948)
Show SMILES N#C\C=C1/C=C(N=C2Sc3ccccc3N12)c1ccccc1 |c:4,t:6|
Show InChI InChI=1S/C18H11N3S/c19-11-10-14-12-15(13-6-2-1-3-7-13)20-18-21(14)16-8-4-5-9-17(16)22-18/h1-10,12H/b14-10+
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n/an/a 2.30E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401971
PNG
(CHEMBL2207955)
Show SMILES Cc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C19H13N3S/c1-13-6-8-14(9-7-13)16-12-15(10-11-20)22-17-4-2-3-5-18(17)23-19(22)21-16/h2-10,12H,1H3/b15-10+
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n/an/a 2.32E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401979
PNG
(CHEMBL2207948)
Show SMILES N#C\C=C1/C=C(N=C2Sc3ccccc3N12)c1ccccc1 |c:4,t:6|
Show InChI InChI=1S/C18H11N3S/c19-11-10-14-12-15(13-6-2-1-3-7-13)20-18-21(14)16-8-4-5-9-17(16)22-18/h1-10,12H/b14-10+
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n/an/a 2.35E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401977
PNG
(CHEMBL2207950)
Show SMILES Fc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C18H10FN3S/c19-13-7-5-12(6-8-13)15-11-14(9-10-20)22-16-3-1-2-4-17(16)23-18(22)21-15/h1-9,11H/b14-9+
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n/an/a 2.44E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401969
PNG
(CHEMBL2207957)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccccc1 |c:12,14|
Show InChI InChI=1S/C19H13N3OS/c1-23-15-7-8-17-18(12-15)24-19-21-16(13-5-3-2-4-6-13)11-14(9-10-20)22(17)19/h2-9,11-12H,1H3/b14-9+
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n/an/a 2.50E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401977
PNG
(CHEMBL2207950)
Show SMILES Fc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C18H10FN3S/c19-13-7-5-12(6-8-13)15-11-14(9-10-20)22-16-3-1-2-4-17(16)23-18(22)21-15/h1-9,11H/b14-9+
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n/an/a 2.50E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401976
PNG
(CHEMBL2203334)
Show SMILES Brc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C18H10BrN3S/c19-13-7-5-12(6-8-13)15-11-14(9-10-20)22-16-3-1-2-4-17(16)23-18(22)21-15/h1-9,11H/b14-9+
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n/an/a 2.82E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
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 3.55E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
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 3.55E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
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>1.00E+5n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
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 1.02E+5n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pure alpha-glucosidase (unknown origin) assessed as para-nitrophenol release at 420 nm OD


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50030374
PNG
(CHEMBL3344206)
Show SMILES CCCCCCCCCCN1C[C@H](O)C(O)(CCO)[C@H](O)C1 |r|
Show InChI InChI=1S/C17H35NO4/c1-2-3-4-5-6-7-8-9-11-18-13-15(20)17(22,10-12-19)16(21)14-18/h15-16,19-22H,2-14H2,1H3/t15-,16+,17?
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n/an/a 1.12E+5n/an/an/an/an/an/a



University of Pune

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase (unknown origin) using p-nitrophenyl-alpha-D-mannopyranoside substrate incubated for 10 mins by UV spectrophotometry


Bioorg Med Chem 22: 5776-82 (2014)


Article DOI: 10.1016/j.bmc.2014.09.034
BindingDB Entry DOI: 10.7270/Q2930VRN
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50030343
PNG
(CHEMBL3344205)
Show SMILES CCCCCCCCN1C[C@H](O)C(O)(CCO)[C@H](O)C1 |r|
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-9-16-11-13(18)15(20,8-10-17)14(19)12-16/h13-14,17-20H,2-12H2,1H3/t13-,14+,15?
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n/an/a 1.43E+5n/an/an/an/an/an/a



University of Pune

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase (unknown origin) using p-nitrophenyl-alpha-D-mannopyranoside substrate incubated for 10 mins by UV spectrophotometry


Bioorg Med Chem 22: 5776-82 (2014)


Article DOI: 10.1016/j.bmc.2014.09.034
BindingDB Entry DOI: 10.7270/Q2930VRN
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50030342
PNG
(CHEMBL3344204)
Show SMILES CCCCCCN1C[C@H](O)C(O)(CCO)[C@H](O)C1 |r|
Show InChI InChI=1S/C13H27NO4/c1-2-3-4-5-7-14-9-11(16)13(18,6-8-15)12(17)10-14/h11-12,15-18H,2-10H2,1H3/t11-,12+,13?
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n/an/a 1.83E+5n/an/an/an/an/an/a



University of Pune

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase (unknown origin) using p-nitrophenyl-alpha-D-mannopyranoside substrate incubated for 10 mins by UV spectrophotometry


Bioorg Med Chem 22: 5776-82 (2014)


Article DOI: 10.1016/j.bmc.2014.09.034
BindingDB Entry DOI: 10.7270/Q2930VRN
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50030340
PNG
(CHEMBL3344203)
Show SMILES CCCCN1C[C@H](O)C(O)(CCO)[C@H](O)C1 |r|
Show InChI InChI=1S/C11H23NO4/c1-2-3-5-12-7-9(14)11(16,4-6-13)10(15)8-12/h9-10,13-16H,2-8H2,1H3/t9-,10+,11?
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n/an/a 2.52E+5n/an/an/an/an/an/a



University of Pune

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase (unknown origin) using p-nitrophenyl-alpha-D-mannopyranoside substrate incubated for 10 mins by UV spectrophotometry


Bioorg Med Chem 22: 5776-82 (2014)


Article DOI: 10.1016/j.bmc.2014.09.034
BindingDB Entry DOI: 10.7270/Q2930VRN
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(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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n/an/a 3.79E+5n/an/an/an/an/an/a



University of Pune

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase (unknown origin) using p-nitrophenyl-alpha-D-mannopyranoside substrate incubated for 10 mins by UV spectrophotometry


Bioorg Med Chem 22: 5776-82 (2014)


Article DOI: 10.1016/j.bmc.2014.09.034
BindingDB Entry DOI: 10.7270/Q2930VRN
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50030341
PNG
(CHEMBL3344207)
Show SMILES OCCN1C[C@H](O)C(O)(CCO)[C@H](O)C1 |r|
Show InChI InChI=1S/C9H19NO5/c11-3-1-9(15)7(13)5-10(2-4-12)6-8(9)14/h7-8,11-15H,1-6H2/t7-,8+,9?
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n/an/a 8.73E+5n/an/an/an/an/an/a



University of Pune

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase (unknown origin) using p-nitrophenyl-alpha-D-mannopyranoside substrate incubated for 10 mins by UV spectrophotometry


Bioorg Med Chem 22: 5776-82 (2014)


Article DOI: 10.1016/j.bmc.2014.09.034
BindingDB Entry DOI: 10.7270/Q2930VRN
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens (Human))
BDBM50030339
PNG
(CHEMBL3344202)
Show SMILES OCCC1(O)[C@@H](O)CNC[C@H]1O |r|
Show InChI InChI=1S/C7H15NO4/c9-2-1-7(12)5(10)3-8-4-6(7)11/h5-6,8-12H,1-4H2/t5-,6+,7?
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n/an/a 1.83E+6n/an/an/an/an/an/a



University of Pune

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase (unknown origin) using p-nitrophenyl-alpha-D-mannopyranoside substrate incubated for 10 mins by UV spectrophotometry


Bioorg Med Chem 22: 5776-82 (2014)


Article DOI: 10.1016/j.bmc.2014.09.034
BindingDB Entry DOI: 10.7270/Q2930VRN
More data for this
Ligand-Target Pair