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Compile Data Set for Download or QSAR

Found 94 hits of ic50 data for polymerid = 50001128,50006890,50006965,5123,7323   
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
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50033631
PNG
(2-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C50H65N7O14S2/c1-6-7-16-37(45(62)56-41(28-43(59)60)48(65)70-24-22-31-13-9-8-10-14-31)54-47(64)40(27-33-29-51-36-17-12-11-15-35(33)36)53-42(58)30-52-44(61)38(23-25-72-5)55-46(63)39(57-49(66)71-50(2,3)4)26-32-18-20-34(21-19-32)73(67,68)69/h8-15,17-21,29,37-41,51H,6-7,16,22-28,30H2,1-5H3,(H,52,61)(H,53,58)(H,54,64)(H,55,63)(H,56,62)(H,57,66)(H,59,60)(H,67,68,69)/t37-,38-,39-,40+,41-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of amylase release from rat pancreatic acini


J Med Chem 36: 3021-8 (1993)


Article DOI: 10.1021/jm00072a024
BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50033632
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCCc1ccccc1)CC(O)=O
Show InChI InChI=1S/C52H71N7O12S/c1-6-8-22-41(57-49(65)43(59-51(67)71-52(3,4)5)29-35-25-27-38(28-26-35)72(68,69)70)47(63)54-33-45(60)56-44(30-36-32-53-40-24-16-15-21-39(36)40)50(66)58-42(23-9-7-2)48(64)55-37(31-46(61)62)20-14-13-19-34-17-11-10-12-18-34/h10-12,15-18,21,24-28,32,37,41-44,53H,6-9,13-14,19-20,22-23,29-31,33H2,1-5H3,(H,54,63)(H,55,64)(H,56,60)(H,57,65)(H,58,66)(H,59,67)(H,61,62)(H,68,69,70)/t37?,41-,42-,43-,44+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of amylase release from rat pancreatic acini


J Med Chem 36: 3021-8 (1993)


Article DOI: 10.1021/jm00072a024
BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50033636
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O
Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of amylase release from rat pancreatic acini


J Med Chem 36: 3021-8 (1993)


Article DOI: 10.1021/jm00072a024
BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Homo sapiens (Human))
BDBM50033636
PNG
(3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)NC(CCCOc1ccccc1)CC(O)=O
Show InChI InChI=1S/C51H69N7O13S/c1-6-8-20-40(56-48(64)42(58-50(66)71-51(3,4)5)28-33-23-25-37(26-24-33)72(67,68)69)46(62)53-32-44(59)55-43(29-34-31-52-39-22-14-13-19-38(34)39)49(65)57-41(21-9-7-2)47(63)54-35(30-45(60)61)16-15-27-70-36-17-11-10-12-18-36/h10-14,17-19,22-26,31,35,40-43,52H,6-9,15-16,20-21,27-30,32H2,1-5H3,(H,53,62)(H,54,63)(H,55,59)(H,56,64)(H,57,65)(H,58,66)(H,60,61)(H,67,68,69)/t35?,40-,41-,42-,43+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



EP CNRS 51

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells


J Med Chem 36: 3021-8 (1993)


Article DOI: 10.1021/jm00072a024
BindingDB Entry DOI: 10.7270/Q2PZ57VG
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM223316
PNG
(YPYSCWVRH | piHA-Dm)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)N1SCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1/C59H76N16O13S2/c1-31(2)49(56(86)68-40(9-5-19-64-59(61)62)51(81)69-41(50(60)80)24-35-26-63-30-66-35)73-53(83)43(23-34-25-65-39-8-4-3-7-38(34)39)71-55(85)47(28-89)75-58(88)45(27-76)72-52(82)42(21-32-11-15-36(77)16-12-32)70-54(84)46-10-6-20-74(46)57(87)44(67-48(79)29-90-75)22-33-13-17-37(78)18-14-33/h3-4,7-8,11-18,25-26,30-31,40-47,49,65,76-78,89H,5-6,9-10,19-24,27-29H2,1-2H3,(H2,60,80)(H,63,66)(H,67,79)(H,68,86)(H,69,81)(H,70,84)(H,71,85)(H,72,82)(H,73,83)(H4,61,62,64)/t40-,41-,42-,43-,44-,45-,46-,47-,49-/s2
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n/an/a 8.5n/an/an/an/a7.0n/a



The University of Tokyo



Assay Description
After kinetic analysis with HPA, piHA-Dm was tested as an inhibitor of ten additional enzymes. The conditions are listed as follows: Agrobacterium fa...


Cell Chem Biol 24: 381-390 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.001
BindingDB Entry DOI: 10.7270/Q27D2T0M
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)
BDBM50005681
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-dimethylami...)
Show SMILES CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/C20H31NO2/c1-20(17-11-6-4-7-12-17,18-13-8-5-9-14-18)19(22)23-16-10-15-21(2)3/h4,6-7,11-12,18H,5,8-10,13-16H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)
BDBM50005684
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 3-diethylamin...)
Show SMILES CCN(CC)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/C22H35NO2/c1-4-23(5-2)17-12-18-25-21(24)22(3,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6,8-9,13-14,20H,4-5,7,10-12,15-18H2,1-3H3
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n/an/a 21n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)
BDBM50005685
PNG
(2,2-Diphenyl-propionic acid 2-diethylamino-ethyl e...)
Show SMILES CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
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n/an/a 46n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)
BDBM50005686
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
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n/an/a 52n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)
BDBM50005682
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-dimethylami...)
Show SMILES CN(C)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/C21H33NO2/c1-21(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20(23)24-17-11-10-16-22(2)3/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3
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n/an/a 190n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)
BDBM50005683
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 4-diethylamin...)
Show SMILES CCN(CC)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/C23H37NO2/c1-4-24(5-2)18-12-13-19-26-22(25)23(3,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6,8-9,14-15,21H,4-5,7,10-13,16-19H2,1-3H3
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n/an/a 380n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
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
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n/an/a 1.35E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464435
PNG
(CHEMBL4277658)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H21FN2O2S/c1-15-2-4-16(5-3-15)14-20-10-12-21(13-11-20)24(22,23)18-8-6-17(19)7-9-18/h2-9H,10-14H2,1H3
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n/an/a 1.57E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464425
PNG
(CHEMBL4284909)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C19H24N2O3S/c1-16-3-5-17(6-4-16)15-20-11-13-21(14-12-20)25(22,23)19-9-7-18(24-2)8-10-19/h3-10H,11-15H2,1-2H3
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n/an/a 2.06E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464440
PNG
(CHEMBL4294256)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C18H21BrN2O2S/c1-15-2-4-16(5-3-15)14-20-10-12-21(13-11-20)24(22,23)18-8-6-17(19)7-9-18/h2-9H,10-14H2,1H3
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n/an/a 2.12E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464427
PNG
(CHEMBL4292777)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H21ClN2O2S/c1-15-2-4-16(5-3-15)14-20-10-12-21(13-11-20)24(22,23)18-8-6-17(19)7-9-18/h2-9H,10-14H2,1H3
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n/an/a 2.35E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120847
PNG
(CHEMBL3618487)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1NC1=C[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1/C31H53NO23/c1-7-13(16(39)22(45)29(49-7)54-26-11(5-35)50-28(48)21(44)19(26)42)32-9-2-8(3-33)25(18(41)14(9)37)53-31-24(47)20(43)27(12(6-36)52-31)55-30-23(46)17(40)15(38)10(4-34)51-30/h2,7-8,10-48H,3-6H2,1H3/t7-,8-,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/s2
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n/an/a 2.59E+3n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed...


Bioorg Med Chem 23: 6725-32 (2015)


Article DOI: 10.1016/j.bmc.2015.09.007
BindingDB Entry DOI: 10.7270/Q21G0P2X
More data for this
Ligand-Target Pair
Alpha-amylase


(Tenebrio molitor)
BDBM50090176
PNG
(CHEMBL3581562)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC3=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)CC
Show InChI InChI=1/C146H216N36O39S6/c1-17-73(10)114-138(212)155-62-110(188)159-92(52-80-32-23-22-24-33-80)127(201)171-101(133(207)168-98(146(220)221)51-72(8)9)67-225-226-68-102-134(208)173-100-65-223-222-64-86(148)121(195)175-116(75(12)19-3)139(213)157-78(15)120(194)161-94(55-83-60-151-70-156-83)129(203)163-91(53-81-40-42-84(184)43-41-81)122(196)153-61-109(187)158-88(36-27-28-46-147)124(198)169-99(131(205)164-96(57-112(190)191)123(197)154-63-111(189)174-115(74(11)18-2)141(215)178-117(76(13)20-4)140(214)166-95(56-108(150)186)130(204)160-89(125(199)170-102)44-45-107(149)185)66-224-227-69-103(135(209)179-119(79(16)183)145(219)182-49-31-39-106(182)144(218)181-48-30-38-105(181)137(211)176-118(77(14)21-5)142(216)177-114)172-126(200)90(50-71(6)7)162-128(202)93(54-82-59-152-87-35-26-25-34-85(82)87)165-136(210)104-37-29-47-180(104)143(217)97(58-113(192)193)167-132(100)206/h22-26,32-35,40-43,59-60,70-79,86,88-106,114-119,152,183-184H,17-21,27-31,36-39,44-58,61-69,147-148H2,1-16H3,(H2,149,185)(H2,150,186)(H,151,156)(H,153,196)(H,154,197)(H,155,212)(H,157,213)(H,158,187)(H,159,188)(H,160,204)(H,161,194)(H,162,202)(H,163,203)(H,164,205)(H,165,210)(H,166,214)(H,167,206)(H,168,207)(H,169,198)(H,170,199)(H,171,201)(H,172,200)(H,173,208)(H,174,189)(H,175,195)(H,176,211)(H,177,216)(H,178,215)(H,179,209)(H,190,191)(H,192,193)(H,220,221)/t73-,74-,75-,76-,77-,78-,79+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,114-,115-,116-,117-,118-,119-/s2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Nanyang Technological University

Curated by ChEMBL


Assay Description
Inhibition of Tenebrio molitor alpha-amylase pre-incubated for 20 mins at 37 degC by bernfeld method


J Nat Prod 78: 695-704 (2015)


Article DOI: 10.1021/np500866c
BindingDB Entry DOI: 10.7270/Q2Q241Z9
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464428
PNG
(CHEMBL4290115)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C18H20Cl2N2O2S/c1-14-5-7-15(8-6-14)13-21-9-11-22(12-10-21)25(23,24)17-4-2-3-16(19)18(17)20/h2-8H,9-13H2,1H3
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n/an/a 2.67E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)
BDBM50005680
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 5-diethylamin...)
Show SMILES CCN(CC)CCCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/C24H39NO2/c1-4-25(5-2)19-13-8-14-20-27-23(26)24(3,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6,9-10,15-16,22H,4-5,7-8,11-14,17-20H2,1-3H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464433
PNG
(CHEMBL4286367)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O4S/c1-15-5-7-16(8-6-15)14-19-9-11-20(12-10-19)26(24,25)18-4-2-3-17(13-18)21(22)23/h2-8,13H,9-12,14H2,1H3
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n/an/a 2.75E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464434
PNG
(CHEMBL4288298)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O4S/c1-15-2-4-16(5-3-15)14-19-10-12-20(13-11-19)26(24,25)18-8-6-17(7-9-18)21(22)23/h2-9H,10-14H2,1H3
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n/an/a 2.82E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464441
PNG
(CHEMBL4291709)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H24N2O2S/c1-16-3-7-18(8-4-16)15-20-11-13-21(14-12-20)24(22,23)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3
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n/an/a 2.87E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464431
PNG
(CHEMBL4283335)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccccc2C)cc1
Show InChI InChI=1S/C19H24N2O2S/c1-16-7-9-18(10-8-16)15-20-11-13-21(14-12-20)24(22,23)19-6-4-3-5-17(19)2/h3-10H,11-15H2,1-2H3
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464432
PNG
(CHEMBL4278776)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C18H20Cl2N2O2S/c1-14-2-4-15(5-3-14)13-21-8-10-22(11-9-21)25(23,24)18-12-16(19)6-7-17(18)20/h2-7,12H,8-11,13H2,1H3
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464438
PNG
(CHEMBL4279414)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H20N4O6S/c1-14-2-4-15(5-3-14)13-19-8-10-20(11-9-19)29(27,28)18-7-6-16(21(23)24)12-17(18)22(25)26/h2-7,12H,8-11,13H2,1H3
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n/an/a 2.93E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464439
PNG
(CHEMBL4293927)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C18H20Cl2N2O2S/c1-14-2-4-15(5-3-14)13-21-8-10-22(11-9-21)25(23,24)16-6-7-17(19)18(20)12-16/h2-7,12H,8-11,13H2,1H3
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n/an/a 2.98E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464424
PNG
(CHEMBL4283744)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C18H21FN2O2S/c1-15-6-8-16(9-7-15)14-20-10-12-21(13-11-20)24(22,23)18-5-3-2-4-17(18)19/h2-9H,10-14H2,1H3
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n/an/a 3.05E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464426
PNG
(CHEMBL4286685)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H20Cl2N2O2S/c1-14-2-4-15(5-3-14)13-21-8-10-22(11-9-21)25(23,24)18-7-6-16(19)12-17(18)20/h2-7,12H,8-11,13H2,1H3
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n/an/a 3.14E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464429
PNG
(CHEMBL4285663)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C18H21ClN2O2S/c1-15-6-8-16(9-7-15)14-20-10-12-21(13-11-20)24(22,23)18-5-3-2-4-17(18)19/h2-9H,10-14H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464430
PNG
(CHEMBL4293503)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2cccc(Br)c2)cc1
Show InChI InChI=1S/C18H21BrN2O2S/c1-15-5-7-16(8-6-15)14-20-9-11-21(12-10-20)24(22,23)18-4-2-3-17(19)13-18/h2-8,13H,9-12,14H2,1H3
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n/an/a 3.45E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464437
PNG
(CHEMBL4282249)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H19Cl3N2O2S/c1-13-2-4-14(5-3-13)12-22-6-8-23(9-7-22)26(24,25)18-11-16(20)15(19)10-17(18)21/h2-5,10-11H,6-9,12H2,1H3
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n/an/a 3.52E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464436
PNG
(CHEMBL4291606)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C18H20Cl2N2O2S/c1-14-2-4-15(5-3-14)13-21-6-8-22(9-7-21)25(23,24)18-11-16(19)10-17(20)12-18/h2-5,10-12H,6-9,13H2,1H3
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n/an/a 3.56E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50464442
PNG
(CHEMBL4281074)
Show SMILES Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O4S/c1-15-6-8-16(9-7-15)14-19-10-12-20(13-11-19)26(24,25)18-5-3-2-4-17(18)21(22)23/h2-9H,10-14H2,1H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



University of Dammam

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...


Eur J Med Chem 141: 530-537 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
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
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n/an/a 5.30E+3n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 15 mins followed by substrate addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5065-5070 (2017)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
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
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n/an/a 8.93E+3n/an/an/an/an/an/a



CSIR-National Institute for Interdisciplinary Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate after 30 mins by iodine reagent based assay


Bioorg Med Chem 26: 3461-3467 (2018)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50182491
PNG
(CHEBI:69015 | MALABARICONE C | Malabaricone C)
Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O
Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2
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n/an/a 1.06E+4n/an/an/an/an/an/a



CSIR-National Institute for Interdisciplinary Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate after 30 mins by iodine reagent based assay


Bioorg Med Chem 26: 3461-3467 (2018)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50499990
PNG
(CHEMBL3740675)
Show SMILES COc1cc2O[C@@]3(Oc4cc(OC(=O)c5cc(O)c(O)c(O)c5)c(C)c(OC)c4[C@@H]([C@H]3O)c2c2O[C@@H](CCc12)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C40H34O11/c1-20-28(49-39(45)22-16-25(41)35(43)26(42)17-22)18-30-32(36(20)47-3)34-33-31(51-40(50-30,38(34)44)23-12-8-5-9-13-23)19-29(46-2)24-14-15-27(48-37(24)33)21-10-6-4-7-11-21/h4-13,16-19,27,34,38,41-44H,14-15H2,1-3H3/t27-,34+,38+,40-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase assessed as starch digestion up to 120 mins by turbidity assay


Bioorg Med Chem 23: 7641-9 (2015)

More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50182486
PNG
(MALABARICONE B)
Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1
Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2
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n/an/a 1.29E+4n/an/an/an/an/an/a



CSIR-National Institute for Interdisciplinary Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate after 30 mins by iodine reagent based assay


Bioorg Med Chem 26: 3461-3467 (2018)

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
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
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/b22-18-
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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
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425181
PNG
(CHEMBL2313585)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccccc3)SC)sc2c1
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/b21-18-
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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
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/b22-18-
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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
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
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/b20-16-
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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
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/b22-18-
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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
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425176
PNG
(CHEMBL2313590)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(F)cc3)SC)sc2c1
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/b22-18-
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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
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/b22-19-
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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
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401973
PNG
(CHEMBL2207953)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc2ccccc2c1
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
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/b22-19-
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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
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