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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'al-asri' and Initial = 'j'   
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))
BDBM50120854
PNG
(CHEMBL3618493)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](Oc3c(O)cc(cc3O)C3=C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)c4c(O)cc(O)cc4C3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C54H66O32/c1-16-33(63)39(69)44(74)51(78-16)81-30-15-77-50(43(73)37(30)67)84-47-26(60)10-19(11-27(47)61)22-9-20-8-21(56)12-25(59)32(20)38(68)46(22)83-53-48(41(71)34(64)17(2)79-53)86-54-49(85-52-45(75)40(70)35(65)28(13-55)80-52)42(72)36(66)29(82-54)14-76-31(62)6-4-18-3-5-23(57)24(58)7-18/h3-8,10-12,16-17,28-30,33-37,39-45,48-61,63-67,69-75H,9,13-15H2,1-2H3/b6-4+/t16-,17-,28+,29+,30+,33-,34-,35+,36+,37-,39+,40-,41+,42-,43+,44+,45+,48+,49+,50-,51-,52-,53-,54-/m0/s1
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8n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Competitive inhibition of human pancreatic alpha-amylase by double reciprocal plot analysis


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
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120850
PNG
(CHEMBL3618491)
Show SMILES CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C37H63NO28/c1-8-15(19(46)26(53)35(59-8)65-31-12(5-41)62-34(28(55)23(31)50)58-7-14-18(45)20(47)25(52)33(57)60-14)38-10-2-9(3-39)30(22(49)16(10)43)64-37-29(56)24(51)32(13(6-42)63-37)66-36-27(54)21(48)17(44)11(4-40)61-36/h2,8,10-57H,3-7H2,1H3
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12n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase


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
3D
3D Structure (crystal)
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120851
PNG
(CHEMBL1233515)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(29)16(33)13(8)30)15(32)20(37)25(41-6)44-22-9(4-28)43-24(21(38)18(22)35)40-5-10-14(31)17(34)19(36)23(39)42-10/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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12n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase


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
3D
3D Structure (crystal)
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120843
PNG
(CHEMBL3616594)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](N[C@@H]4[C@@H](C)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](N[C@@H]7[C@@H](C)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@@H]%10[C@@H](CO)O[C@H](O[C@@H]%11[C@@H](CO)O[C@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)C=C6CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)C=C3CO)[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/C75H125N3O52/c1-16-31(76-22-4-19(7-79)34(88)41(95)35(22)89)38(92)51(105)68(114-16)125-62-26(11-83)118-71(54(108)45(62)99)123-59-20(8-80)5-23(36(90)42(59)96)77-32-17(2)115-69(52(106)39(32)93)126-63-27(12-84)119-72(55(109)46(63)100)124-60-21(9-81)6-24(37(91)43(60)97)78-33-18(3)116-70(53(107)40(33)94)127-64-28(13-85)120-74(56(110)47(64)101)129-66-30(15-87)122-75(58(112)49(66)103)130-65-29(14-86)121-73(57(111)48(65)102)128-61-25(10-82)117-67(113)50(104)44(61)98/h4-6,16-18,22-113H,7-15H2,1-3H3/t16-,17-,18-,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73-,74-,75-/m1/s1
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14n/an/an/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
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120842
PNG
(CHEMBL3618489)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](N[C@@H]4[C@@H](C)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)C=C3CO)[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/C56H94N2O40/c1-12-23(57-16-3-14(5-59)25(66)30(71)26(16)67)28(69)38(79)51(86-12)94-46-19(8-62)89-53(40(81)33(46)74)93-44-15(6-60)4-17(27(68)31(44)72)58-24-13(2)87-52(39(80)29(24)70)95-47-20(9-63)90-55(41(82)34(47)75)97-49-22(11-65)92-56(43(84)36(49)77)98-48-21(10-64)91-54(42(83)35(48)76)96-45-18(7-61)88-50(85)37(78)32(45)73/h3-4,12-13,16-85H,5-11H2,1-2H3/t12-,13-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50+,51-,52-,53-,54-,55-,56-/m1/s1
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15n/an/an/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
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120844
PNG
(CHEMBL3616595)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](N[C@@H]4[C@@H](C)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](N[C@@H]7[C@@H](C)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](N[C@@H]%10[C@@H](C)O[C@H](O[C@@H]%11[C@@H](CO)O[C@H](O[C@@H]%12[C@@H](CO)O[C@H](O[C@@H]%13[C@@H](CO)O[C@H](O[C@@H]%14[C@@H](CO)O[C@H](O)[C@H](O)[C@H]%14O)[C@H](O)[C@H]%13O)[C@H](O)[C@H]%12O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)C=C9CO)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)C=C6CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)C=C3CO)[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/C94H156N4O64/c1-20-39(95-28-5-24(9-99)43(110)52(119)44(28)111)48(115)64(131)85(142-20)156-78-33(14-104)147-89(68(135)57(78)124)153-74-25(10-100)6-29(45(112)53(74)120)96-40-21(2)143-86(65(132)49(40)116)157-79-34(15-105)148-90(69(136)58(79)125)154-75-26(11-101)7-30(46(113)54(75)121)97-41-22(3)144-87(66(133)50(41)117)158-80-35(16-106)149-91(70(137)59(80)126)155-76-27(12-102)8-31(47(114)55(76)122)98-42-23(4)145-88(67(134)51(42)118)159-81-36(17-107)150-93(71(138)60(81)127)161-83-38(19-109)152-94(73(140)62(83)129)162-82-37(18-108)151-92(72(139)61(82)128)160-77-32(13-103)146-84(141)63(130)56(77)123/h5-8,20-23,28-141H,9-19H2,1-4H3/t20-,21-,22-,23-,28+,29+,30+,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-/m1/s1
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42n/an/an/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
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120852
PNG
(CHEMBL1230193)
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]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H33NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h2,5,7-30H,3-4H2,1H3/t5-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19-/m1/s1
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75n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase


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
3D
3D Structure (crystal)
alpha-Amylase


(Homo sapiens (human))
BDBM50120853
PNG
(CHEMBL3618492)
Show SMILES C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3OC4(NC(=S)NC4=O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[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/C27H43N3O18S/c1-6-11(28-8-2-7(3-31)12(33)16(37)13(8)34)15(36)19(40)24(45-6)47-21-9(4-32)46-23(20(41)17(21)38)44-5-10-14(35)18(39)22(42)27(48-10)25(43)29-26(49)30-27/h2,6,8-24,28,31-42H,3-5H2,1H3,(H2,29,30,43,49)/t6-,8+,9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19-,20-,21-,22-,23+,24-,27?/m1/s1
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190n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by Lineweaver-Burk plot analysis


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


(Homo sapiens (human))
BDBM50120849
PNG
(CHEMBL3618490)
Show SMILES CC1OC(OC2C(CO)OC(OC3C(O)C(O)C(NC4C(C)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C=C3CO)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O
Show InChI InChI=1S/C38H64N2O25/c1-9-17(39-13-3-11(5-41)19(45)24(50)20(13)46)22(48)30(56)37(60-9)65-34-16(8-44)62-38(31(57)27(34)53)63-32-12(6-42)4-14(21(47)25(32)51)40-18-10(2)59-36(29(55)23(18)49)64-33-15(7-43)61-35(58)28(54)26(33)52/h3-4,9-10,13-58H,5-8H2,1-2H3
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700n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate


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
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120848
PNG
(CHEMBL3618488)
Show SMILES CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O
Show InChI InChI=1S/C37H63NO28/c1-8-15(18(46)25(53)34(58-8)64-31-13(6-42)62-37(28(56)23(31)51)65-30-12(5-41)59-33(57)24(52)21(30)49)38-10-2-9(3-39)29(20(48)16(10)44)63-36-27(55)22(50)32(14(7-43)61-36)66-35-26(54)19(47)17(45)11(4-40)60-35/h2,8,10-57H,3-7H2,1H3
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1.25E+3n/an/an/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
3D
3D Structure (crystal)
alpha-Amylase


(Homo sapiens (human))
BDBM50241052
PNG
(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by Lineweaver-Burk plot analysis


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
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120855
PNG
(CHEMBL3618494)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](Oc3c(O)cc(cc3O)C3=C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)c4c(O)cc(O)cc4C3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C54H66O31/c1-17-33(62)39(68)44(73)51(77-17)80-30-16-76-50(43(72)37(30)66)83-47-26(59)11-20(12-27(47)60)24-10-21-9-23(57)13-25(58)32(21)38(67)46(24)82-53-48(41(70)34(63)18(2)78-53)85-54-49(84-52-45(74)40(69)35(64)28(14-55)79-52)42(71)36(65)29(81-54)15-75-31(61)8-5-19-3-6-22(56)7-4-19/h3-9,11-13,17-18,28-30,33-37,39-45,48-60,62-66,68-74H,10,14-16H2,1-2H3/b8-5+/t17-,18-,28+,29+,30+,33-,34-,35+,36+,37-,39+,40-,41+,42-,43+,44+,45+,48+,49+,50-,51-,52-,53-,54-/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Competitive inhibition of human pancreatic alpha-amylase by double reciprocal plot analysis


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
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120856
PNG
(CHEMBL3618495)
Show SMILES COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](C)O[C@H]3OC3=C(Cc4cc(O)cc(O)c4C3=O)c3cc(O)c(O[C@@H]4OC[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)c(O)c3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)ccc1O
Show InChI InChI=1S/C55H68O32/c1-17-34(63)40(69)45(74)52(79-17)82-31-16-78-51(44(73)38(31)67)85-48-26(60)11-20(12-27(48)61)23-10-21-9-22(57)13-25(59)33(21)39(68)47(23)84-54-49(42(71)35(64)18(2)80-54)87-55-50(86-53-46(75)41(70)36(65)29(14-56)81-53)43(72)37(66)30(83-55)15-77-32(62)7-5-19-4-6-24(58)28(8-19)76-3/h4-9,11-13,17-18,29-31,34-38,40-46,49-61,63-67,69-75H,10,14-16H2,1-3H3/b7-5+/t17-,18-,29+,30+,31+,34-,35-,36+,37+,38-,40+,41-,42+,43-,44+,45+,46+,49+,50+,51-,52-,53-,54-,55-/m0/s1
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6.10E+3n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Competitive inhibition of human pancreatic alpha-amylase by double reciprocal plot analysis


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
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120839
PNG
(CHEMBL1234040)
Show SMILES CO[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)N\C(=N\O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H34N2O15/c1-32-15-6(3-23)33-19(12(29)9(15)26)36-16-7(4-24)34-18(13(30)10(16)27)35-14-5(2-22)20-17(21-31)11(28)8(14)25/h5-16,18-19,22-31H,2-4H2,1H3,(H,20,21)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19-/m1/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase assessed as hydrolysis of G3F by Dixon plot analysis


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
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM29143
PNG
(CHEMBL7976 | Chalcone 1 | Chalcone, 13 | cid_63776...)
Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
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4.80E+4n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using soluble starch as substrate after 30 mins by Bernfeld method


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
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120838
PNG
(CHEMBL1233953)
Show SMILES OC[C@H]1N\C(=N\O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C18H32N2O15/c21-1-4-14(9(26)11(28)16(19-4)20-31)34-18-13(30)10(27)15(6(3-23)33-18)35-17-12(29)8(25)7(24)5(2-22)32-17/h4-15,17-18,21-31H,1-3H2,(H,19,20)/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1
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1.80E+6n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase assessed as hydrolysis of G3F by Dixon plot analysis


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
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50120841
PNG
(CHEMBL3616593)
Show SMILES OC[C@H](OS(O)(=O)=O)[C@@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C9H19NO9S/c11-3-5-9(15)7(14)2-10(5)1-6(13)8(4-12)19-20(16,17)18/h5-9,11-15H,1-4H2,(H,16,17,18)/t5-,6+,7-,8+,9-/m1/s1
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<1.00E+7n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using DP17 amylose as substrate preincubated for 5 mins followed by substrate addition by copper-bicin...


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 type A isozyme


(Hordeum vulgare)
BDBM50120841
PNG
(CHEMBL3616593)
Show SMILES OC[C@H](OS(O)(=O)=O)[C@@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C9H19NO9S/c11-3-5-9(15)7(14)2-10(5)1-6(13)8(4-12)19-20(16,17)18/h5-9,11-15H,1-4H2,(H,16,17,18)/t5-,6+,7-,8+,9-/m1/s1
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<1.00E+7n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of recombinant barley alpha-amylase isozyme-1 using DP17 amylose as substrate preincubated for 5 mins followed by substrate addition by co...


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
Pancreatic alpha-amylase (HPA)


(Homo sapiens (Human))
BDBM50120840
PNG
(CHEMBL1213470)
Show SMILES OC[C@H]1N\C(=N\O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1
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1.80E+7n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic alpha-amylase assessed as hydrolysis of G3F by Dixon plot analysis


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


(Homo sapiens (human))
BDBM50333465
PNG
((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
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 500n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50241052
PNG
(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
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n/an/a 2.35E+3n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by spectrophotometric analysis


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
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=1S/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-/m1/s1
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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


(Homo sapiens (human))
BDBM50120845
PNG
(CHEMBL3618485)
Show SMILES COc1ccc(Nc2nc(cs2)-c2ccccc2O)cc1
Show InChI InChI=1S/C16H14N2O2S/c1-20-12-8-6-11(7-9-12)17-16-18-14(10-21-16)13-4-2-3-5-15(13)19/h2-10,19H,1H3,(H,17,18)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM32252
PNG
(2-(1-benzimidazolyl)-1-(5-ethyl-2,4-dihydroxypheny...)
Show SMILES CCc1cc(C(=O)Cn2cnc3ccccc23)c(O)cc1O
Show InChI InChI=1S/C17H16N2O3/c1-2-11-7-12(16(21)8-15(11)20)17(22)9-19-10-18-13-5-3-4-6-14(13)19/h3-8,10,20-21H,2,9H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of HSP90 (unknown origin)


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


(Homo sapiens (human))
BDBM50120834
PNG
(CHEMBL2011396)
Show SMILES Oc1ccc(Cl)cc1\C=C1/SC(=O)N(Cc2cccc(c2)[N+]([O-])=O)C1=O
Show InChI InChI=1S/C17H11ClN2O5S/c18-12-4-5-14(21)11(7-12)8-15-16(22)19(17(23)26-15)9-10-2-1-3-13(6-10)20(24)25/h1-8,21H,9H2/b15-8-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120835
PNG
(CHEMBL2011401)
Show SMILES OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccccc2O)C1=O
Show InChI InChI=1S/C17H11NO4S2/c19-13-7-2-1-4-10(13)9-14-15(20)18(17(23)24-14)12-6-3-5-11(8-12)16(21)22/h1-9,19H,(H,21,22)/b14-9-
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n/an/a 6.20E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120832
PNG
(CHEMBL3618483)
Show SMILES CC(=O)c1cccc(Nc2nc(cs2)-c2ccc(O)cc2O)c1
Show InChI InChI=1S/C17H14N2O3S/c1-10(20)11-3-2-4-12(7-11)18-17-19-15(9-23-17)14-6-5-13(21)8-16(14)22/h2-9,21-22H,1H3,(H,18,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120831
PNG
(CHEMBL3618482)
Show SMILES CN(C)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C17H17N3O2S/c1-20(2)12-5-3-11(4-6-12)18-17-19-15(10-23-17)14-8-7-13(21)9-16(14)22/h3-10,21-22H,1-2H3,(H,18,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50293578
PNG
(4-(2-(4-Hydroxyphenylamino)thiazol-4-yl)benzene-1,...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12N2O3S/c18-10-3-1-9(2-4-10)16-15-17-13(8-21-15)12-6-5-11(19)7-14(12)20/h1-8,18-20H,(H,16,17)
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n/an/a 1.38E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50293573
PNG
(4-(4-(2,4-dihydroxyphenyl)thiazol-2-ylamino)benzen...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-1-9(2-5-11)17-15-18-13(8-23-15)12-6-3-10(19)7-14(12)20/h1-8,19-20H,(H,17,18)(H2,16,21,22)
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n/an/a 1.65E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120823
PNG
(CHEMBL1904421)
Show SMILES Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1
Show InChI InChI=1S/C23H24O3/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25/h4-11,24-26H,12-13H2,1-3H3
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n/an/a 2.00E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120836
PNG
(CHEMBL572150)
Show SMILES COc1cc(Br)cc(\C=C2\SC(Nc3cccc(c3)C(O)=O)=NC2=O)c1O
Show InChI InChI=1S/C18H13BrN2O5S/c1-26-13-8-11(19)5-10(15(13)22)7-14-16(23)21-18(27-14)20-12-4-2-3-9(6-12)17(24)25/h2-8,22H,1H3,(H,24,25)(H,20,21,23)/b14-7+
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n/an/a 2.60E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120846
PNG
(CHEMBL3618486)
Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C15H11Cl2N3S/c16-9-1-6-12(13(17)7-9)14-8-21-15(20-14)19-11-4-2-10(18)3-5-11/h1-8H,18H2,(H,19,20)
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n/an/a 2.70E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120824
PNG
(CHEMBL3618478)
Show SMILES COc1cccc(C2NC(C([N+]([O-])=O)C(C)(C)C2[N+]([O-])=O)c2cccc(OC)c2O)c1O
Show InChI InChI=1S/C21H25N3O8/c1-21(2)19(23(27)28)15(11-7-5-9-13(31-3)17(11)25)22-16(20(21)24(29)30)12-8-6-10-14(32-4)18(12)26/h5-10,15-16,19-20,22,25-26H,1-4H3
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n/an/a 3.00E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120826
PNG
(CHEMBL1510984)
Show SMILES COc1cccc(NC(=N)Nc2nc(O)cc(CSc3ccccn3)n2)c1
Show InChI InChI=1S/C18H18N6O2S/c1-26-14-6-4-5-12(9-14)21-17(19)24-18-22-13(10-15(25)23-18)11-27-16-7-2-3-8-20-16/h2-10H,11H2,1H3,(H4,19,21,22,23,24,25)
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n/an/a 3.30E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120830
PNG
(CHEMBL599385)
Show SMILES OC(=O)c1cc(Nc2nc(cs2)-c2ccc(O)cc2O)ccc1O
Show InChI InChI=1S/C16H12N2O5S/c19-9-2-3-10(14(21)6-9)12-7-24-16(18-12)17-8-1-4-13(20)11(5-8)15(22)23/h1-7,19-21H,(H,17,18)(H,22,23)
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n/an/a 4.23E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50293577
PNG
(4-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol | C...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H12N2O2S/c18-12-5-1-10(2-6-12)14-9-20-15(17-14)16-11-3-7-13(19)8-4-11/h1-9,18-19H,(H,16,17)
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n/an/a 4.92E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120829
PNG
(CHEMBL596726)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1O
Show InChI InChI=1S/C16H12N2O5S/c19-9-2-4-10(14(21)6-9)12-7-24-16(18-12)17-8-1-3-11(15(22)23)13(20)5-8/h1-7,19-21H,(H,17,18)(H,22,23)
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n/an/a 6.42E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120828
PNG
(CHEMBL590969)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C16H12N2O4S/c19-11-5-6-12(14(20)7-11)13-8-23-16(18-13)17-10-3-1-9(2-4-10)15(21)22/h1-8,19-20H,(H,17,18)(H,21,22)
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n/an/a 6.80E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120837
PNG
(CHEMBL3618484)
Show SMILES CC(=O)N1CCN(CC1)C1=NC(=O)\C(S1)=C/c1ccccc1O
Show InChI InChI=1S/C16H17N3O3S/c1-11(20)18-6-8-19(9-7-18)16-17-15(22)14(23-16)10-12-4-2-3-5-13(12)21/h2-5,10,21H,6-9H2,1H3/b14-10+
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n/an/a 7.00E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50051863
PNG
(CHEMBL1081479)
Show SMILES Cc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H14N2OS/c1-11-2-4-12(5-3-11)15-10-20-16(18-15)17-13-6-8-14(19)9-7-13/h2-10,19H,1H3,(H,17,18)
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n/an/a 7.35E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120827
PNG
(CHEMBL3618481)
Show SMILES C\C(=N/NC(=O)CCC(=O)Nc1ccccc1C)c1ccc(O)cc1O
Show InChI InChI=1S/C19H21N3O4/c1-12-5-3-4-6-16(12)20-18(25)9-10-19(26)22-21-13(2)15-8-7-14(23)11-17(15)24/h3-8,11,23-24H,9-10H2,1-2H3,(H,20,25)(H,22,26)/b21-13+
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n/an/a 8.50E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50120825
PNG
(CHEMBL3618480)
Show SMILES CC(O)CNCCNCc1ccc(o1)-c1ccccc1F
Show InChI InChI=1S/C16H21FN2O2/c1-12(20)10-18-8-9-19-11-13-6-7-16(21-13)14-4-2-3-5-15(14)17/h2-7,12,18-20H,8-11H2,1H3
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n/an/a 1.00E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50312869
PNG
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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n/an/a 1.04E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50293576
PNG
(4-(4-phenylthiazol-2-ylamino)phenol | 4131JH0380 |...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H12N2OS/c18-13-8-6-12(7-9-13)16-15-17-14(10-19-15)11-4-2-1-3-5-11/h1-10,18H,(H,16,17)
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n/an/a 1.27E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 1.40E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using rice starch as substrate after 12 mins by microplate reader analysis


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


(Homo sapiens (human))
BDBM50120833
PNG
(CHEMBL600247)
Show SMILES Cc1[nH]nc(c1Oc1ccc(cc1)C(O)=O)-c1ccc(O)cc1O
Show InChI InChI=1S/C17H14N2O5/c1-9-16(24-12-5-2-10(3-6-12)17(22)23)15(19-18-9)13-7-4-11(20)8-14(13)21/h2-8,20-21H,1H3,(H,18,19)(H,22,23)
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n/an/a 4.00E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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


(Homo sapiens (human))
BDBM50161650
PNG
(4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYP...)
Show SMILES CCc1cc(-c2n[nH]c(C(O)=O)c2-c2ccc3OCOc3c2)c(O)cc1O
Show InChI InChI=1S/C19H16N2O6/c1-2-9-5-11(13(23)7-12(9)22)17-16(18(19(24)25)21-20-17)10-3-4-14-15(6-10)27-8-26-14/h3-7,22-23H,2,8H2,1H3,(H,20,21)(H,24,25)
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n/an/a 4.00E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


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