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Compile Data Set for Download or QSAR

Found 18 hits of ki data for polymerid = 50007601   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50241453
PNG
(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Show SMILES CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3
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1.40E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50457916
PNG
(CHEBI:67537 | TERPHENYLLIN | Terphenyllin)
Show SMILES COc1cc(c(OC)c(O)c1-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18O5/c1-24-17-11-16(12-3-7-14(21)8-4-12)20(25-2)19(23)18(17)13-5-9-15(22)10-6-13/h3-11,21-23H,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human alpha-glucosidase expressed in Saccharomyces cerevisiae using p-nitrophenyl-alpha-D-glucopyranoside as substrate ...


Eur J Med Chem 146: 232-244 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.057
BindingDB Entry DOI: 10.7270/Q29P3494
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50457899
PNG
(CHEMBL4210494)
Show SMILES COc1cc(-c2ccc(O)cc2)c(OC)c(OCCC(C)C)c1-c1ccc(O)cc1
Show InChI InChI=1S/C25H28O5/c1-16(2)13-14-30-25-23(18-7-11-20(27)12-8-18)22(28-3)15-21(24(25)29-4)17-5-9-19(26)10-6-17/h5-12,15-16,26-27H,13-14H2,1-4H3
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3.45E+3n/an/an/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human alpha-glucosidase expressed in Saccharomyces cerevisiae using p-nitrophenyl-alpha-D-glucopyranoside as substrate ...


Eur J Med Chem 146: 232-244 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.057
BindingDB Entry DOI: 10.7270/Q29P3494
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454316
PNG
(CHEMBL4211682)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)c(CC(O)C(C)=C)c(O)c2c1oc1ccc(O)cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-11-19-25(31)21(14-22(30)16(3)4)27(33)24-26(32)20-13-18(29)10-12-23(20)34-28(19)24/h7,9-10,12-13,22,29-31,33H,3,6,8,11,14H2,1-2,4-5H3/b17-9+
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4.20E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454316
PNG
(CHEMBL4211682)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)c(CC(O)C(C)=C)c(O)c2c1oc1ccc(O)cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-11-19-25(31)21(14-22(30)16(3)4)27(33)24-26(32)20-13-18(29)10-12-23(20)34-28(19)24/h7,9-10,12-13,22,29-31,33H,3,6,8,11,14H2,1-2,4-5H3/b17-9+
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6.60E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of alpha-glucosidase (unknown origin) assessed as enzyme-substrate-inhibitor complex formation using PNP-G as substrate by Line...


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM181062
PNG
((E)-N'-(3,5-Dichloro-2-hydroxybenzylidene)-4-(...)
Show SMILES Oc1c(Cl)cc(Cl)cc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H11Cl2N3O4S/c21-12-5-11(17(26)14(22)7-12)8-23-25-18(27)19-24-15(9-30-19)13-6-10-3-1-2-4-16(10)29-20(13)28/h1-9,26H,(H,25,27)/b23-8+
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6.80E+3n/an/an/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Non-competitive inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 10 mins followed ...


Eur J Med Chem 176: 343-377 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.025
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50214969
PNG
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Show SMILES COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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7.30E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454317
PNG
(CHEMBL4203265)
Show SMILES CC(C)=CCCC(=C)C(O)Cc1c(O)c(CC=C(C)C)c(O)c2c1oc1ccc(O)cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)22(30)14-21-25(31)19(11-9-16(3)4)26(32)24-27(33)20-13-18(29)10-12-23(20)34-28(21)24/h7,9-10,12-13,22,29-32H,5-6,8,11,14H2,1-4H3
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8.20E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454321
PNG
(CHEMBL4208135)
Show SMILES CC(C)=CCCC(C)(O)C1Cc2c(O1)c(CC=C(C)C)c(O)c1c2oc2ccc(O)cc2c1=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-12-28(5,32)22-14-20-26(34-22)18(10-8-16(3)4)24(30)23-25(31)19-13-17(29)9-11-21(19)33-27(20)23/h7-9,11,13,22,29-30,32H,6,10,12,14H2,1-5H3
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9.90E+3n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454318
PNG
(CHEMBL4202640)
Show SMILES C\C(CCC(O)C(C)=C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
Show InChI InChI=1S/C23H24O6/c1-13(2)18(25)6-4-14(3)8-9-28-16-5-7-20-17(12-16)23(27)22-19(26)10-15(24)11-21(22)29-20/h5,7-8,10-12,18,24-26H,1,4,6,9H2,2-3H3/b14-8+
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1.30E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50346335
PNG
(CHEMBL1782241 | Cochinchinone A)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)c(CC=C(C)C)c(O)c2c1oc1ccc(O)cc1c2=O
Show InChI InChI=1S/C28H32O5/c1-16(2)7-6-8-18(5)10-13-21-25(30)20(12-9-17(3)4)26(31)24-27(32)22-15-19(29)11-14-23(22)33-28(21)24/h7,9-11,14-15,29-31H,6,8,12-13H2,1-5H3/b18-10+
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1.34E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50203367
PNG
(CHEMBL3891396)
Show SMILES CCOc1ccccc1NC(=O)Cn1cc(Cn2c(nc(c2-c2ccccc2)-c2ccccc2)-c2cccc(Br)c2)nn1
Show InChI InChI=1S/C34H29BrN6O2/c1-2-43-30-19-10-9-18-29(30)36-31(42)23-40-21-28(38-39-40)22-41-33(25-14-7-4-8-15-25)32(24-12-5-3-6-13-24)37-34(41)26-16-11-17-27(35)20-26/h3-21H,2,22-23H2,1H3,(H,36,42)
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1.40E+4n/an/an/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 176: 343-377 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.025
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454323
PNG
(CHEMBL4209191)
Show SMILES CC(C)=CCC\C(C)=C\COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
Show InChI InChI=1S/C23H24O5/c1-14(2)5-4-6-15(3)9-10-27-17-7-8-20-18(13-17)23(26)22-19(25)11-16(24)12-21(22)28-20/h5,7-9,11-13,24-25H,4,6,10H2,1-3H3/b15-9+
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1.77E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50346334
PNG
(1,3,7-trihydroxy-2,4-diisoprenylxanthone | CHEMBL1...)
Show SMILES CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3ccc(O)cc3c(=O)c2c1O
Show InChI InChI=1S/C23H24O5/c1-12(2)5-8-15-20(25)16(9-6-13(3)4)23-19(21(15)26)22(27)17-11-14(24)7-10-18(17)28-23/h5-7,10-11,24-26H,8-9H2,1-4H3
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1.92E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50502047
PNG
(CHEMBL4459976)
Show SMILES Cc1ccc(cc1)C(c1c(N)c2ccccc2oc1=O)c1c(N)c2ccccc2oc1=O
Show InChI InChI=1S/C26H20N2O4/c1-14-10-12-15(13-11-14)20(21-23(27)16-6-2-4-8-18(16)31-25(21)29)22-24(28)17-7-3-5-9-19(17)32-26(22)30/h2-13,20H,27-28H2,1H3
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2.20E+4n/an/an/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Competitive inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 10 mins follow...


Eur J Med Chem 176: 343-377 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.025
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454320
PNG
(CHEMBL4217516)
Show SMILES COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
Show InChI InChI=1S/C24H28O7/c1-12(2)6-7-14-19-17(11-16(26)23(14)30-5)31-18-10-15(25)13(8-9-24(3,4)29)21(27)20(18)22(19)28/h6,10-11,25-27,29H,7-9H2,1-5H3
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2.51E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454319
PNG
(CHEMBL4214309)
Show SMILES CC(C)=CCC\C(C)=C\COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1CC=C(C)C
Show InChI InChI=1S/C28H32O5/c1-17(2)7-6-8-19(5)13-14-32-24-16-25-26(27(30)21(24)11-9-18(3)4)28(31)22-15-20(29)10-12-23(22)33-25/h7,9-10,12-13,15-16,29-30H,6,8,11,14H2,1-5H3/b19-13+
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2.72E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50454322
PNG
(CHEMBL4218731)
Show SMILES COc1c(O)ccc2c1oc1c3c(OC(CO)C3(C)C)cc(O)c1c2=O
Show InChI InChI=1S/C19H18O7/c1-19(2)12(7-20)25-11-6-10(22)13-15(23)8-4-5-9(21)17(24-3)16(8)26-18(13)14(11)19/h4-6,12,20-22H,7H2,1-3H3
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3.39E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair