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Compile Data Set for Download or QSAR

Found 554 hits of ic50 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)
BDBM50463893
PNG
(CHEMBL4237960)
Show SMILES Nc1ccn(C2OC(CO)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4?,6-,7-,8?/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Bioorg Med Chem 26: 4996-5005 (2018)


Article DOI: 10.1016/j.bmc.2018.08.022
BindingDB Entry DOI: 10.7270/Q2K076X4
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50463894
PNG
(CHEMBL4238409)
Show SMILES CCC1NC(CC)C(O)C(O)C1O
Show InChI InChI=1S/C9H19NO3/c1-3-5-7(11)9(13)8(12)6(4-2)10-5/h5-13H,3-4H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Bioorg Med Chem 26: 4996-5005 (2018)


Article DOI: 10.1016/j.bmc.2018.08.022
BindingDB Entry DOI: 10.7270/Q2K076X4
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50501991
PNG
(CHEMBL4551617)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(Nc1ccc(NC(c2ccc(cc2)[N+]([O-])=O)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C42H26N8O10S2/c51-35-22-31(30-6-2-4-8-34(30)57-35)38-45-47(41(61)59-38)36(23-9-17-28(18-10-23)49(53)54)43-26-13-15-27(16-14-26)44-37(24-11-19-29(20-12-24)50(55)56)48-42(62)60-39(46-48)32-21-25-5-1-3-7-33(25)58-40(32)52/h1-22,36-37,43-44H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50501990
PNG
(CHEMBL4467305)
Show SMILES CN(C)c1ccc(cc1)C(Nc1ccc(cc1)-c1ccc(NC(c2ccc(cc2)N(C)C)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C52H42N8O6S2/c1-57(2)38-25-17-33(18-26-38)46(59-51(67)65-48(55-59)41-30-45(61)63-44-12-8-6-10-40(41)44)53-36-21-13-31(14-22-36)32-15-23-37(24-16-32)54-47(34-19-27-39(28-20-34)58(3)4)60-52(68)66-49(56-60)42-29-35-9-5-7-11-43(35)64-50(42)62/h5-30,46-47,53-54H,1-4H3
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502259
PNG
(CHEMBL4547928)
Show SMILES Cc1ccc(cc1)C(Nc1ccc(Oc2ccc(NC(c3ccc(C)cc3)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C50H36N6O7S2/c1-29-11-15-31(16-12-29)43(55-49(64)62-45(53-55)39-27-33-7-3-5-9-41(33)60-47(39)57)51-35-19-23-37(24-20-35)59-38-25-21-36(22-26-38)52-44(32-17-13-30(2)14-18-32)56-50(65)63-46(54-56)40-28-34-8-4-6-10-42(34)61-48(40)58/h3-28,43-44,51-52H,1-2H3
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502233
PNG
(CHEMBL4533762)
Show SMILES CN(C)c1ccc(cc1)C(Nc1ccc(NC(c2ccc(cc2)N(C)C)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C46H38N8O6S2/c1-51(2)32-21-13-27(14-22-32)40(53-45(61)59-42(49-53)35-26-39(55)57-38-12-8-6-10-34(35)38)47-30-17-19-31(20-18-30)48-41(28-15-23-33(24-16-28)52(3)4)54-46(62)60-43(50-54)36-25-29-9-5-7-11-37(29)58-44(36)56/h5-26,40-41,47-48H,1-4H3
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502232
PNG
(CHEMBL4535608)
Show SMILES Clc1cccc(c1)C(Nc1ccc(NC(c2cccc(Cl)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C42H26Cl2N6O6S2/c43-26-10-5-8-24(19-26)36(49-41(57)55-38(47-49)31-22-35(51)53-34-14-4-2-12-30(31)34)45-28-15-17-29(18-16-28)46-37(25-9-6-11-27(44)20-25)50-42(58)56-39(48-50)32-21-23-7-1-3-13-33(23)54-40(32)52/h1-22,36-37,45-46H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502231
PNG
(CHEMBL4449167)
Show SMILES Clc1ccc(cc1)C(Nc1ccc(NC(c2ccc(Cl)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C42H26Cl2N6O6S2/c43-26-13-9-23(10-14-26)36(49-41(57)55-38(47-49)31-22-35(51)53-34-8-4-2-6-30(31)34)45-28-17-19-29(20-18-28)46-37(24-11-15-27(44)16-12-24)50-42(58)56-39(48-50)32-21-25-5-1-3-7-33(25)54-40(32)52/h1-22,36-37,45-46H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502230
PNG
(CHEMBL4448033)
Show SMILES Clc1ccc(C(Nc2ccc(cc2)-c2ccc(NC(c3ccc(Cl)cc3Cl)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)n2nc(oc2=S)-c2cc(=O)oc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C48H28Cl4N6O6S2/c49-28-13-19-33(37(51)22-28)42(57-47(65)63-44(55-57)35-24-41(59)61-40-8-4-2-6-32(35)40)53-30-15-9-25(10-16-30)26-11-17-31(18-12-26)54-43(34-20-14-29(50)23-38(34)52)58-48(66)64-45(56-58)36-21-27-5-1-3-7-39(27)62-46(36)60/h1-24,42-43,53-54H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502229
PNG
(CHEMBL4574481)
Show SMILES Clc1ccc(cc1)C(Nc1ccc(cc1)-c1ccc(NC(c2ccc(Cl)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C48H30Cl2N6O6S2/c49-32-17-9-29(10-18-32)42(55-47(63)61-44(53-55)37-26-41(57)59-40-8-4-2-6-36(37)40)51-34-21-13-27(14-22-34)28-15-23-35(24-16-28)52-43(30-11-19-33(50)20-12-30)56-48(64)62-45(54-56)38-25-31-5-1-3-7-39(31)60-46(38)58/h1-26,42-43,51-52H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502199
PNG
(CHEMBL4513326)
Show SMILES COc1cccc(c1)C(Nc1ccc(NC(c2cccc(OC)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C44H32N6O8S2/c1-53-30-12-7-10-26(21-30)38(49-43(59)57-40(47-49)33-24-37(51)55-36-16-6-4-14-32(33)36)45-28-17-19-29(20-18-28)46-39(27-11-8-13-31(22-27)54-2)50-44(60)58-41(48-50)34-23-25-9-3-5-15-35(25)56-42(34)52/h3-24,38-39,45-46H,1-2H3
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502197
PNG
(CHEMBL4549180)
Show SMILES CN(C)c1ccc(cc1)C(Nc1ccc(Oc2ccc(NC(c3ccc(cc3)N(C)C)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C52H42N8O7S2/c1-57(2)37-21-13-31(14-22-37)45(59-51(68)66-47(55-59)41-29-33-9-5-7-11-43(33)64-49(41)61)53-35-17-25-39(26-18-35)63-40-27-19-36(20-28-40)54-46(32-15-23-38(24-16-32)58(3)4)60-52(69)67-48(56-60)42-30-34-10-6-8-12-44(34)65-50(42)62/h5-30,45-46,53-54H,1-4H3
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502196
PNG
(CHEMBL4552230)
Show SMILES Brc1ccc(cc1)C(Nc1ccc(cc1)-c1ccc(NC(c2ccc(Br)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C48H30Br2N6O6S2/c49-32-17-9-29(10-18-32)42(55-47(63)61-44(53-55)37-26-41(57)59-40-8-4-2-6-36(37)40)51-34-21-13-27(14-22-34)28-15-23-35(24-16-28)52-43(30-11-19-33(50)20-12-30)56-48(64)62-45(54-56)38-25-31-5-1-3-7-39(31)60-46(38)58/h1-26,42-43,51-52H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502174
PNG
(CHEMBL4538427)
Show SMILES Fc1ccc(cc1)C(Nc1ccc(NC(c2ccc(F)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C42H26F2N6O6S2/c43-26-13-9-23(10-14-26)36(49-41(57)55-38(47-49)31-22-35(51)53-34-8-4-2-6-30(31)34)45-28-17-19-29(20-18-28)46-37(24-11-15-27(44)16-12-24)50-42(58)56-39(48-50)32-21-25-5-1-3-7-33(25)54-40(32)52/h1-22,36-37,45-46H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502154
PNG
(CHEMBL4448529)
Show SMILES Cc1ccc(cc1)C(Nc1ccc(cc1)-c1ccc(NC(c2ccc(C)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C50H36N6O6S2/c1-29-11-15-33(16-12-29)44(55-49(63)61-46(53-55)39-28-43(57)59-42-10-6-4-8-38(39)42)51-36-23-19-31(20-24-36)32-21-25-37(26-22-32)52-45(34-17-13-30(2)14-18-34)56-50(64)62-47(54-56)40-27-35-7-3-5-9-41(35)60-48(40)58/h3-28,44-45,51-52H,1-2H3
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502041
PNG
(CHEMBL4448264)
Show SMILES Brc1cccc(c1)C(Nc1ccc(Oc2ccc(NC(c3cccc(Br)c3)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C48H30Br2N6O7S2/c49-31-11-5-9-29(23-31)41(55-47(64)62-43(53-55)37-25-27-7-1-3-13-39(27)60-45(37)57)51-33-15-19-35(20-16-33)59-36-21-17-34(18-22-36)52-42(30-10-6-12-32(50)24-30)56-48(65)63-44(54-56)38-26-28-8-2-4-14-40(28)61-46(38)58/h1-26,41-42,51-52H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502040
PNG
(CHEMBL4468873)
Show SMILES Cc1ccc(cc1)C(Nc1ccc(NC(c2ccc(C)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C44H32N6O6S2/c1-25-11-15-27(16-12-25)38(49-43(57)55-40(47-49)33-24-37(51)53-36-10-6-4-8-32(33)36)45-30-19-21-31(22-20-30)46-39(28-17-13-26(2)14-18-28)50-44(58)56-41(48-50)34-23-29-7-3-5-9-35(29)54-42(34)52/h3-24,38-39,45-46H,1-2H3
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502030
PNG
(CHEMBL4451108)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(Nc1ccc(cc1)-c1ccc(NC(c2ccc(cc2)[N+]([O-])=O)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C48H30N8O10S2/c57-41-26-37(36-6-2-4-8-40(36)63-41)44-51-53(47(67)65-44)42(29-13-21-34(22-14-29)55(59)60)49-32-17-9-27(10-18-32)28-11-19-33(20-12-28)50-43(30-15-23-35(24-16-30)56(61)62)54-48(68)66-45(52-54)38-25-31-5-1-3-7-39(31)64-46(38)58/h1-26,42-43,49-50H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502031
PNG
(CHEMBL4461780)
Show SMILES Clc1cccc(c1)C(Nc1ccc(cc1)-c1ccc(NC(c2cccc(Cl)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C48H30Cl2N6O6S2/c49-32-10-5-8-30(23-32)42(55-47(63)61-44(53-55)37-26-41(57)59-40-14-4-2-12-36(37)40)51-34-19-15-27(16-20-34)28-17-21-35(22-18-28)52-43(31-9-6-11-33(50)24-31)56-48(64)62-45(54-56)38-25-29-7-1-3-13-39(29)60-46(38)58/h1-26,42-43,51-52H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502032
PNG
(CHEMBL4466971)
Show SMILES Brc1cccc(c1)C(Nc1ccc(cc1)-c1ccc(NC(c2cccc(Br)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C48H30Br2N6O6S2/c49-32-10-5-8-30(23-32)42(55-47(63)61-44(53-55)37-26-41(57)59-40-14-4-2-12-36(37)40)51-34-19-15-27(16-20-34)28-17-21-35(22-18-28)52-43(31-9-6-11-33(50)24-31)56-48(64)62-45(54-56)38-25-29-7-1-3-13-39(29)60-46(38)58/h1-26,42-43,51-52H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502033
PNG
(CHEMBL4461882)
Show SMILES COc1cccc(c1)C(Nc1ccc(cc1)-c1ccc(NC(c2cccc(OC)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C50H36N6O8S2/c1-59-36-12-7-10-32(25-36)44(55-49(65)63-46(53-55)39-28-43(57)61-42-16-6-4-14-38(39)42)51-34-21-17-29(18-22-34)30-19-23-35(24-20-30)52-45(33-11-8-13-37(26-33)60-2)56-50(66)64-47(54-56)40-27-31-9-3-5-15-41(31)62-48(40)58/h3-28,44-45,51-52H,1-2H3
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502034
PNG
(CHEMBL4464119)
Show SMILES Clc1ccc(cc1)C(Nc1ccc(Oc2ccc(NC(c3ccc(Cl)cc3)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C48H30Cl2N6O7S2/c49-31-13-9-27(10-14-31)41(55-47(64)62-43(53-55)37-25-29-5-1-3-7-39(29)60-45(37)57)51-33-17-21-35(22-18-33)59-36-23-19-34(20-24-36)52-42(28-11-15-32(50)16-12-28)56-48(65)63-44(54-56)38-26-30-6-2-4-8-40(30)61-46(38)58/h1-26,41-42,51-52H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502035
PNG
(CHEMBL4549137)
Show SMILES Brc1ccc(cc1)C(Nc1ccc(Oc2ccc(NC(c3ccc(Br)cc3)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C48H30Br2N6O7S2/c49-31-13-9-27(10-14-31)41(55-47(64)62-43(53-55)37-25-29-5-1-3-7-39(29)60-45(37)57)51-33-17-21-35(22-18-33)59-36-23-19-34(20-24-36)52-42(28-11-15-32(50)16-12-28)56-48(65)63-44(54-56)38-26-30-6-2-4-8-40(30)61-46(38)58/h1-26,41-42,51-52H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502036
PNG
(CHEMBL4468520)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(Nc1ccc(Oc2ccc(NC(c3ccc(cc3)[N+]([O-])=O)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C48H30N8O11S2/c57-45-37(25-29-5-1-3-7-39(29)64-45)43-51-53(47(68)66-43)41(27-9-17-33(18-10-27)55(59)60)49-31-13-21-35(22-14-31)63-36-23-15-32(16-24-36)50-42(28-11-19-34(20-12-28)56(61)62)54-48(69)67-44(52-54)38-26-30-6-2-4-8-40(30)65-46(38)58/h1-26,41-42,49-50H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502037
PNG
(CHEMBL4453742)
Show SMILES Clc1ccc(C(Nc2ccc(Oc3ccc(NC(c4ccc(Cl)cc4Cl)n4nc(oc4=S)-c4cc5ccccc5oc4=O)cc3)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)c(Cl)c1
Show InChI InChI=1S/C48H28Cl4N6O7S2/c49-27-9-19-33(37(51)23-27)41(57-47(66)64-43(55-57)35-21-25-5-1-3-7-39(25)62-45(35)59)53-29-11-15-31(16-12-29)61-32-17-13-30(14-18-32)54-42(34-20-10-28(50)24-38(34)52)58-48(67)65-44(56-58)36-22-26-6-2-4-8-40(26)63-46(36)60/h1-24,41-42,53-54H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502038
PNG
(CHEMBL4459113)
Show SMILES Brc1cccc(c1)C(Nc1ccc(NC(c2cccc(Br)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12
Show InChI InChI=1S/C42H26Br2N6O6S2/c43-26-10-5-8-24(19-26)36(49-41(57)55-38(47-49)31-22-35(51)53-34-14-4-2-12-30(31)34)45-28-15-17-29(18-16-28)46-37(25-9-6-11-27(44)20-25)50-42(58)56-39(48-50)32-21-23-7-1-3-13-33(23)54-40(32)52/h1-22,36-37,45-46H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502039
PNG
(CHEMBL4438224)
Show SMILES Clc1ccc(C(Nc2ccc(NC(c3ccc(Cl)cc3Cl)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)n2nc(oc2=S)-c2cc(=O)oc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C42H24Cl4N6O6S2/c43-22-9-15-27(31(45)18-22)36(51-41(59)57-38(49-51)29-20-35(53)55-34-8-4-2-6-26(29)34)47-24-11-13-25(14-12-24)48-37(28-16-10-23(44)19-32(28)46)52-42(60)58-39(50-52)30-17-21-5-1-3-7-33(21)56-40(30)54/h1-20,36-37,47-48H
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addi...


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)
BDBM50502258
PNG
(CHEMBL4127059)
Show SMILES Cc1ccc(cc1)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C27H18FN3O4S/c1-16-6-12-20(13-7-16)31-25(33)23(14-17-8-10-19(28)11-9-17)36-27(31)30-29-24(32)21-15-18-4-2-3-5-22(18)35-26(21)34/h2-15H,1H3,(H,29,32)/b23-14-,30-27-
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502011
PNG
(CHEMBL4463785)
Show SMILES COc1ccccc1N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C27H18FN3O5S/c1-35-22-9-5-3-7-20(22)31-25(33)23(14-16-10-12-18(28)13-11-16)37-27(31)30-29-24(32)19-15-17-6-2-4-8-21(17)36-26(19)34/h2-15H,1H3,(H,29,32)/b23-14-,30-27-
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Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-NPG as substrate preincubated for 5 mins followed by substrate addition and measured after 3...


Bioorg Med Chem 27: 3477-3510 (2019)


Article DOI: 10.1016/j.bmc.2019.06.033
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50502227
PNG
(CHEMBL4589823)
Show SMILES Cc1cccc(c1)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C27H18FN3O4S/c1-16-5-4-7-20(13-16)31-25(33)23(14-17-9-11-19(28)12-10-17)36-27(31)30-29-24(32)21-15-18-6-2-3-8-22(18)35-26(21)34/h2-15H,1H3,(H,29,32)/b23-14-,30-27-
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502193
PNG
(CHEMBL4469426)
Show SMILES COc1cccc(c1)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C27H18FN3O5S/c1-35-20-7-4-6-19(15-20)31-25(33)23(13-16-9-11-18(28)12-10-16)37-27(31)30-29-24(32)21-14-17-5-2-3-8-22(17)36-26(21)34/h2-15H,1H3,(H,29,32)/b23-13-,30-27-
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502180
PNG
(CHEMBL4591646)
Show SMILES Cc1cc(C)cc(c1)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C28H20FN3O4S/c1-16-11-17(2)13-21(12-16)32-26(34)24(14-18-7-9-20(29)10-8-18)37-28(32)31-30-25(33)22-15-19-5-3-4-6-23(19)36-27(22)35/h3-15H,1-2H3,(H,30,33)/b24-14-,31-28-
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502226
PNG
(CHEMBL4516968)
Show SMILES Fc1ccc(\C=C2/S\C(=N/NC(=O)c3cc4ccccc4oc3=O)N(C2=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H15ClFN3O4S/c27-17-7-11-19(12-8-17)31-24(33)22(13-15-5-9-18(28)10-6-15)36-26(31)30-29-23(32)20-14-16-3-1-2-4-21(16)35-25(20)34/h1-14H,(H,29,32)/b22-13-,30-26-
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502011
PNG
(CHEMBL4463785)
Show SMILES COc1ccccc1N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C27H18FN3O5S/c1-35-22-9-5-3-7-20(22)31-25(33)23(14-16-10-12-18(28)13-11-16)37-27(31)30-29-24(32)19-15-17-6-2-4-8-21(17)36-26(19)34/h2-15H,1H3,(H,29,32)/b23-14-,30-27-
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502125
PNG
(CHEMBL4557506)
Show SMILES Cc1cccc(C)c1N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C28H20FN3O4S/c1-16-6-5-7-17(2)24(16)32-26(34)23(14-18-10-12-20(29)13-11-18)37-28(32)31-30-25(33)21-15-19-8-3-4-9-22(19)36-27(21)35/h3-15H,1-2H3,(H,30,33)/b23-14-,31-28-
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502124
PNG
(CHEMBL4561204)
Show SMILES Cc1ccc(N2\C(S\C(=C/c3ccc(F)cc3)C2=O)=N\NC(=O)c2cc3ccccc3oc2=O)c(C)c1
Show InChI InChI=1S/C28H20FN3O4S/c1-16-7-12-22(17(2)13-16)32-26(34)24(14-18-8-10-20(29)11-9-18)37-28(32)31-30-25(33)21-15-19-5-3-4-6-23(19)36-27(21)35/h3-15H,1-2H3,(H,30,33)/b24-14-,31-28-
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n/an/a 90n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502123
PNG
(CHEMBL4457539)
Show SMILES COc1ccc(cc1)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C27H18FN3O5S/c1-35-20-12-10-19(11-13-20)31-25(33)23(14-16-6-8-18(28)9-7-16)37-27(31)30-29-24(32)21-15-17-4-2-3-5-22(17)36-26(21)34/h2-15H,1H3,(H,29,32)/b23-14-,30-27-
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n/an/a 90n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502122
PNG
(CHEMBL4441658)
Show SMILES Cc1ccccc1N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C27H18FN3O4S/c1-16-6-2-4-8-21(16)31-25(33)23(14-17-10-12-19(28)13-11-17)36-27(31)30-29-24(32)20-15-18-7-3-5-9-22(18)35-26(20)34/h2-15H,1H3,(H,29,32)/b23-14-,30-27-
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n/an/a 90n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502120
PNG
(CHEMBL4531736)
Show SMILES Cc1ccc(cc1C)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C28H20FN3O4S/c1-16-7-12-21(13-17(16)2)32-26(34)24(14-18-8-10-20(29)11-9-18)37-28(32)31-30-25(33)22-15-19-5-3-4-6-23(19)36-27(22)35/h3-15H,1-2H3,(H,30,33)/b24-14-,31-28-
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n/an/a 90n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502225
PNG
(CHEMBL4475313)
Show SMILES Fc1ccc(\C=C2/S\C(=N/NC(=O)c3cc4ccccc4oc3=O)N(C2=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C26H15ClFN3O4S/c27-19-6-2-3-7-20(19)31-24(33)22(13-15-9-11-17(28)12-10-15)36-26(31)30-29-23(32)18-14-16-5-1-4-8-21(16)35-25(18)34/h1-14H,(H,29,32)/b22-13-,30-26-
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n/an/a 90n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502263
PNG
(CHEMBL4450153)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccccc1Cl)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C38H30Cl2N6O6S2/c1-22-10-12-23(13-11-22)36(28-20-41-32-16-14-24(18-26(28)32)37(47)43-45-53(49,50)34-8-4-2-6-30(34)39)29-21-42-33-17-15-25(19-27(29)33)38(48)44-46-54(51,52)35-9-5-3-7-31(35)40/h2-21,36,41-42,45-46H,1H3,(H,43,47)(H,44,48)
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n/an/a 100n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substr...


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)
BDBM50502102
PNG
(CHEMBL4457996)
Show SMILES COc1ccc(cc1)C(=O)\N=c1/scc(C)n1-c1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C18H13Cl3N2O2S/c1-10-9-26-18(22-17(24)11-3-5-12(25-2)6-4-11)23(10)16-8-14(20)13(19)7-15(16)21/h3-9H,1-2H3/b22-18-
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n/an/a 100n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502066
PNG
(CHEMBL4468394)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C38H28Cl4N6O6S2/c1-20-2-4-21(5-3-20)36(32-18-43-34-8-6-22(10-30(32)34)37(49)45-47-55(51,52)28-14-24(39)12-25(40)15-28)33-19-44-35-9-7-23(11-31(33)35)38(50)46-48-56(53,54)29-16-26(41)13-27(42)17-29/h2-19,36,43-44,47-48H,1H3,(H,45,49)(H,46,50)
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n/an/a 100n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substr...


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)
BDBM50502065
PNG
(CHEMBL4444856)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C38H28Cl4N6O6S2/c1-20-2-4-21(5-3-20)36(28-18-43-32-12-6-22(14-26(28)32)37(49)45-47-55(51,52)34-16-24(39)8-10-30(34)41)29-19-44-33-13-7-23(15-27(29)33)38(50)46-48-56(53,54)35-17-25(40)9-11-31(35)42/h2-19,36,43-44,47-48H,1H3,(H,45,49)(H,46,50)
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n/an/a 100n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substr...


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)
BDBM50502064
PNG
(CHEMBL4459920)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(C)cc1)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C40H36N6O6S2/c1-24-4-10-27(11-5-24)38(34-22-41-36-18-12-28(20-32(34)36)39(47)43-45-53(49,50)30-14-6-25(2)7-15-30)35-23-42-37-19-13-29(21-33(35)37)40(48)44-46-54(51,52)31-16-8-26(3)9-17-31/h4-23,38,41-42,45-46H,1-3H3,(H,43,47)(H,44,48)
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n/an/a 100n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substr...


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)
BDBM50502218
PNG
(CHEMBL4442767)
Show SMILES Cc1cs\c(=N/C(=O)c2cccc(C)c2)n1-c1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C18H13Cl3N2OS/c1-10-4-3-5-12(6-10)17(24)22-18-23(11(2)9-25-18)16-8-14(20)13(19)7-15(16)21/h3-9H,1-2H3/b22-18-
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502246
PNG
(CHEMBL4592050)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cccc(Cl)c1Cl)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C38H28Cl4N6O6S2/c1-20-8-10-21(11-9-20)34(26-18-43-30-14-12-22(16-24(26)30)37(49)45-47-55(51,52)32-6-2-4-28(39)35(32)41)27-19-44-31-15-13-23(17-25(27)31)38(50)46-48-56(53,54)33-7-3-5-29(40)36(33)42/h2-19,34,43-44,47-48H,1H3,(H,45,49)(H,46,50)
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substr...


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)
BDBM50502247
PNG
(CHEMBL4444058)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccccc1Br)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C38H30Br2N6O6S2/c1-22-10-12-23(13-11-22)36(28-20-41-32-16-14-24(18-26(28)32)37(47)43-45-53(49,50)34-8-4-2-6-30(34)39)29-21-42-33-17-15-25(19-27(29)33)38(48)44-46-54(51,52)35-9-5-3-7-31(35)40/h2-21,36,41-42,45-46H,1H3,(H,43,47)(H,44,48)
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n/an/a 100n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substr...


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)
BDBM50502101
PNG
(CHEMBL4543754)
Show SMILES Cc1cs\c(=N/C(=O)c2ccccc2Cl)n1-c1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C17H10Cl4N2OS/c1-9-8-25-17(22-16(24)10-4-2-3-5-11(10)18)23(9)15-7-13(20)12(19)6-14(15)21/h2-8H,1H3/b22-17-
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n/an/a 100n/an/an/an/an/an/a



Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...


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)
BDBM50502067
PNG
(CHEMBL4535006)
Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(Br)cc1)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C38H30Br2N6O6S2/c1-22-2-4-23(5-3-22)36(32-20-41-34-16-6-24(18-30(32)34)37(47)43-45-53(49,50)28-12-8-26(39)9-13-28)33-21-42-35-17-7-25(19-31(33)35)38(48)44-46-54(51,52)29-14-10-27(40)11-15-29/h2-21,36,41-42,45-46H,1H3,(H,43,47)(H,44,48)
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Babasaheb Bhimrao Ambedkar University (A Central University)

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substr...


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


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