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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'cardoso' and Initial = 'mf'   
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-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM50308256
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-(4-cyclohexene-1...)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)C2=CCCCC2)[C@H]2OC(C)(C)O[C@@H]12 |r,t:12|
Show InChI InChI=1S/C17H25N3O4/c1-17(2)23-14-13(22-16(21-3)15(14)24-17)10-20-9-12(18-19-20)11-7-5-4-6-8-11/h7,9,13-16H,4-6,8,10H2,1-3H3/t13-,14-,15-,16-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)


Article DOI: 10.1021/jm901265h
BindingDB Entry DOI: 10.7270/Q20R9QC7
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM50308259
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-[4-(1-hydroxycyc...)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)C2(O)CCCCC2)[C@H]2OC(C)(C)O[C@@H]12 |r|
Show InChI InChI=1S/C17H27N3O5/c1-16(2)24-13-11(23-15(22-3)14(13)25-16)9-20-10-12(18-19-20)17(21)7-5-4-6-8-17/h10-11,13-15,21H,4-9H2,1-3H3/t11-,13-,14-,15-/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)


Article DOI: 10.1021/jm901265h
BindingDB Entry DOI: 10.7270/Q20R9QC7
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM50308258
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-(4-phenoxymethyl...)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(COc3ccccc3)nn2)[C@H]2OC(C)(C)O[C@@H]12 |r|
Show InChI InChI=1S/C18H23N3O5/c1-18(2)25-15-14(24-17(22-3)16(15)26-18)10-21-9-12(19-20-21)11-23-13-7-5-4-6-8-13/h4-9,14-17H,10-11H2,1-3H3/t14-,15-,16-,17-/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)


Article DOI: 10.1021/jm901265h
BindingDB Entry DOI: 10.7270/Q20R9QC7
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM50308255
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-(4-phenyl-1H-1,2...)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)-c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 |r|
Show InChI InChI=1S/C17H21N3O4/c1-17(2)23-14-13(22-16(21-3)15(14)24-17)10-20-9-12(18-19-20)11-7-5-4-6-8-11/h4-9,13-16H,10H2,1-3H3/t13-,14-,15-,16-/m1/s1
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n/an/a 1.49E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)


Article DOI: 10.1021/jm901265h
BindingDB Entry DOI: 10.7270/Q20R9QC7
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM50308257
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-(4-carboxylate e...)
Show SMILES CCOC(=O)c1cn(C[C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@H]23)nn1 |r|
Show InChI InChI=1S/C14H21N3O6/c1-5-20-12(18)8-6-17(16-15-8)7-9-10-11(13(19-4)21-9)23-14(2,3)22-10/h6,9-11,13H,5,7H2,1-4H3/t9-,10-,11-,13-/m1/s1
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n/an/a 1.51E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)


Article DOI: 10.1021/jm901265h
BindingDB Entry DOI: 10.7270/Q20R9QC7
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM50308260
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-[4-(tetrahydro-2...)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(COC3CCCCO3)nn2)[C@H]2OC(C)(C)O[C@@H]12 |r|
Show InChI InChI=1S/C17H27N3O6/c1-17(2)25-14-12(24-16(21-3)15(14)26-17)9-20-8-11(18-19-20)10-23-13-6-4-5-7-22-13/h8,12-16H,4-7,9-10H2,1-3H3/t12-,13?,14-,15-,16-/m1/s1
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n/an/a 2.47E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)


Article DOI: 10.1021/jm901265h
BindingDB Entry DOI: 10.7270/Q20R9QC7
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
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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MCE
KEGG
MMDB
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PDB
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Article
PubMed
n/an/a 1.09E+5n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)


Article DOI: 10.1021/jm901265h
BindingDB Entry DOI: 10.7270/Q20R9QC7
More data for this
Ligand-Target Pair