BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 9 hits from CSIR-Indian Institute of Chemical Biology   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM222412
PNG
(3-[1-(3,4, 5-trimethoxyphenyl)-1H-[1,2,3]triazol-4...)
Show SMILES COc1cc(cc(OC)c1OC)-n1cc(CCC(=O)N[C@@H]2OC(CO)[C@@H](O)C(O)C2O)nn1
Show InChI InChI=1S/C20H28N4O9/c1-30-12-6-11(7-13(31-2)19(12)32-3)24-8-10(22-23-24)4-5-15(26)21-20-18(29)17(28)16(27)14(9-25)33-20/h6-8,14,16-18,20,25,27-29H,4-5,9H2,1-3H3,(H,21,26)/t14?,16-,17?,18?,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+5n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology



Assay Description
Briefly, the sample solution (25 μL, 1.0 mM solution in DMSO) was mixed with enzyme solution (25 μL, 0.5 U/mL prepared in 0.1 M phosphate buffe...


Bioorg Chem 72: 11-20 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.006
BindingDB Entry DOI: 10.7270/Q2D7999X
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM222411
PNG
(3-[1-(2,5-Dimethoxyphenyl)-1H-[1,2,3]triazol-4-yl]...)
Show SMILES COc1ccc(OC)c(c1)-n1cc(CCC(=O)N[C@@H]2OC(CO)[C@@H](O)C(O)C2O)nn1
Show InChI InChI=1S/C19H26N4O8/c1-29-11-4-5-13(30-2)12(7-11)23-8-10(21-22-23)3-6-15(25)20-19-18(28)17(27)16(26)14(9-24)31-19/h4-5,7-8,14,16-19,24,26-28H,3,6,9H2,1-2H3,(H,20,25)/t14?,16-,17?,18?,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.28E+5n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology



Assay Description
Briefly, the sample solution (25 μL, 1.0 mM solution in DMSO) was mixed with enzyme solution (25 μL, 0.5 U/mL prepared in 0.1 M phosphate buffe...


Bioorg Chem 72: 11-20 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.006
BindingDB Entry DOI: 10.7270/Q2D7999X
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
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)OC(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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.31E+5n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology



Assay Description
Briefly, the sample solution (25 μL, 1.0 mM solution in DMSO) was mixed with enzyme solution (25 μL, 0.5 U/mL prepared in 0.1 M phosphate buffe...


Bioorg Chem 72: 11-20 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.006
BindingDB Entry DOI: 10.7270/Q2D7999X
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM222407
PNG
(3-[1-(4-Hydroxyphenyl)-1H-[1,2,3]triazol-4-yl]-N-(...)
Show SMILES OCC1O[C@@H](NC(=O)CCc2cn(nn2)-c2ccc(O)cc2)C(O)C(O)[C@@H]1O
Show InChI InChI=1S/C17H22N4O7/c22-8-12-14(25)15(26)16(27)17(28-12)18-13(24)6-1-9-7-21(20-19-9)10-2-4-11(23)5-3-10/h2-5,7,12,14-17,22-23,25-27H,1,6,8H2,(H,18,24)/t12?,14-,15?,16?,17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.48E+5n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology



Assay Description
Briefly, the sample solution (25 μL, 1.0 mM solution in DMSO) was mixed with enzyme solution (25 μL, 0.5 U/mL prepared in 0.1 M phosphate buffe...


Bioorg Chem 72: 11-20 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.006
BindingDB Entry DOI: 10.7270/Q2D7999X
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM222406
PNG
(3-[1-(4-Methoxyphenyl)-1H-[1,2,3]triazol-4-yl]-N-(...)
Show SMILES COc1ccc(cc1)-n1cc(CCC(=O)N[C@@H]2OC(CO)[C@@H](O)C(O)C2O)nn1
Show InChI InChI=1S/C18H24N4O7/c1-28-12-5-3-11(4-6-12)22-8-10(20-21-22)2-7-14(24)19-18-17(27)16(26)15(25)13(9-23)29-18/h3-6,8,13,15-18,23,25-27H,2,7,9H2,1H3,(H,19,24)/t13?,15-,16?,17?,18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.56E+5n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology



Assay Description
Briefly, the sample solution (25 μL, 1.0 mM solution in DMSO) was mixed with enzyme solution (25 μL, 0.5 U/mL prepared in 0.1 M phosphate buffe...


Bioorg Chem 72: 11-20 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.006
BindingDB Entry DOI: 10.7270/Q2D7999X
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM222408
PNG
(3-[1-(4-Methylphenyl)-1H-[1,2,3]triazol-4-yl]-N-(2...)
Show SMILES Cc1ccc(cc1)-n1cc(CCC(=O)N[C@@H]2OC(CO)[C@@H](O)C(O)C2O)nn1
Show InChI InChI=1S/C18H24N4O6/c1-10-2-5-12(6-3-10)22-8-11(20-21-22)4-7-14(24)19-18-17(27)16(26)15(25)13(9-23)28-18/h2-3,5-6,8,13,15-18,23,25-27H,4,7,9H2,1H3,(H,19,24)/t13?,15-,16?,17?,18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.89E+5n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology



Assay Description
Briefly, the sample solution (25 μL, 1.0 mM solution in DMSO) was mixed with enzyme solution (25 μL, 0.5 U/mL prepared in 0.1 M phosphate buffe...


Bioorg Chem 72: 11-20 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.006
BindingDB Entry DOI: 10.7270/Q2D7999X
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM222405
PNG
(3-(1-Phenyl-1H-[1,2,3]triazol-4-yl)-N-(2,3,4,6-tet...)
Show SMILES OCC1O[C@@H](NC(=O)CCc2cn(nn2)-c2ccccc2)C(O)C(O)[C@@H]1O
Show InChI InChI=1S/C17H22N4O6/c22-9-12-14(24)15(25)16(26)17(27-12)18-13(23)7-6-10-8-21(20-19-10)11-4-2-1-3-5-11/h1-5,8,12,14-17,22,24-26H,6-7,9H2,(H,18,23)/t12?,14-,15?,16?,17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.66E+5n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology



Assay Description
Briefly, the sample solution (25 μL, 1.0 mM solution in DMSO) was mixed with enzyme solution (25 μL, 0.5 U/mL prepared in 0.1 M phosphate buffe...


Bioorg Chem 72: 11-20 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.006
BindingDB Entry DOI: 10.7270/Q2D7999X
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM222409
PNG
(3-(1-Benzyl-1H-[1,2,3]triazol-4-yl)-N-(2,3,4,6-tet...)
Show SMILES OCC1O[C@@H](NC(=O)CCc2cn(Cc3ccccc3)nn2)C(O)C(O)[C@@H]1O
Show InChI InChI=1S/C18H24N4O6/c23-10-13-15(25)16(26)17(27)18(28-13)19-14(24)7-6-12-9-22(21-20-12)8-11-4-2-1-3-5-11/h1-5,9,13,15-18,23,25-27H,6-8,10H2,(H,19,24)/t13?,15-,16?,17?,18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.42E+5n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology



Assay Description
Briefly, the sample solution (25 μL, 1.0 mM solution in DMSO) was mixed with enzyme solution (25 μL, 0.5 U/mL prepared in 0.1 M phosphate buffe...


Bioorg Chem 72: 11-20 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.006
BindingDB Entry DOI: 10.7270/Q2D7999X
More data for this
Ligand-Target Pair
alpha-Glucosidase (alpha-Glu)


(Saccharomyces cerevisiae)
BDBM222410
PNG
(3-(1-Naphthyl-1H-[1,2,3]triazol-4-yl)-N-(2,3,4,6-t...)
Show SMILES OCC1O[C@@H](NC(=O)CCc2cn(nn2)-c2ccc3ccccc3c2)C(O)C(O)[C@@H]1O
Show InChI InChI=1S/C21H24N4O6/c26-11-16-18(28)19(29)20(30)21(31-16)22-17(27)8-6-14-10-25(24-23-14)15-7-5-12-3-1-2-4-13(12)9-15/h1-5,7,9-10,16,18-21,26,28-30H,6,8,11H2,(H,22,27)/t16?,18-,19?,20?,21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.57E+5n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology



Assay Description
Briefly, the sample solution (25 μL, 1.0 mM solution in DMSO) was mixed with enzyme solution (25 μL, 0.5 U/mL prepared in 0.1 M phosphate buffe...


Bioorg Chem 72: 11-20 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.006
BindingDB Entry DOI: 10.7270/Q2D7999X
More data for this
Ligand-Target Pair