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PubMed code 26631440

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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


(Sus scrofa (Pig))
BDBM50499987
PNG
(CHEMBL3742315)
Show SMILES [H][C@]12[C@H](O)[C@](Oc3cc(O)c(C)c(OC)c13)(Oc1cc(OC)c3CC[C@H](Oc3c21)c1ccccc1)c1ccccc1 |r,THB:3:2:6.15.5:16.17.28|
Show InChI InChI=1S/C33H30O7/c1-18-22(34)16-25-27(30(18)37-3)29-28-26(40-33(39-25,32(29)35)20-12-8-5-9-13-20)17-24(36-2)21-14-15-23(38-31(21)28)19-10-6-4-7-11-19/h4-13,16-17,23,29,32,34-35H,14-15H2,1-3H3/t23-,29-,32-,33+/m0/s1
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1.17E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Non-competitive inhibition of porcine pancreatic alpha-amylase by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 7641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.11.008
BindingDB Entry DOI: 10.7270/Q2TH8QPX
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50499990
PNG
(CHEMBL3740675)
Show SMILES [H][C@@]12[C@@H](O)[C@@](Oc3cc(OC(=O)c4cc(O)c(O)c(O)c4)c(C)c(OC)c13)(Oc1cc(OC)c3CC[C@H](Oc3c21)c1ccccc1)c1ccccc1 |r,THB:3:2:6.26.5:27.28.39|
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)


Article DOI: 10.1016/j.bmc.2015.11.008
BindingDB Entry DOI: 10.7270/Q2TH8QPX
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50499989
PNG
(CHEMBL3739811)
Show SMILES [H][C@@]12[C@@H](O)[C@@](Oc3cc(O)c(C)c(OC)c13)(Oc1cc(OC)c3CC[C@H](Oc3c21)c1ccccc1)c1ccccc1 |r,THB:3:2:6.15.5:16.17.28|
Show InChI InChI=1S/C33H30O7/c1-18-22(34)16-25-27(30(18)37-3)29-28-26(40-33(39-25,32(29)35)20-12-8-5-9-13-20)17-24(36-2)21-14-15-23(38-31(21)28)19-10-6-4-7-11-19/h4-13,16-17,23,29,32,34-35H,14-15H2,1-3H3/t23-,29+,32+,33-/m0/s1
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n/an/a 2.30E+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)


Article DOI: 10.1016/j.bmc.2015.11.008
BindingDB Entry DOI: 10.7270/Q2TH8QPX
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50499987
PNG
(CHEMBL3742315)
Show SMILES [H][C@]12[C@H](O)[C@](Oc3cc(O)c(C)c(OC)c13)(Oc1cc(OC)c3CC[C@H](Oc3c21)c1ccccc1)c1ccccc1 |r,THB:3:2:6.15.5:16.17.28|
Show InChI InChI=1S/C33H30O7/c1-18-22(34)16-25-27(30(18)37-3)29-28-26(40-33(39-25,32(29)35)20-12-8-5-9-13-20)17-24(36-2)21-14-15-23(38-31(21)28)19-10-6-4-7-11-19/h4-13,16-17,23,29,32,34-35H,14-15H2,1-3H3/t23-,29-,32-,33+/m0/s1
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n/an/a 2.70E+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)


Article DOI: 10.1016/j.bmc.2015.11.008
BindingDB Entry DOI: 10.7270/Q2TH8QPX
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50499988
PNG
(CHEMBL4299399)
Show SMILES [H][C@@]1(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)O[C@@H](C)[C@H](N[C@@]2([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |r,t:35|
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-/m0/s1
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n/an/a 2.80E+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)


Article DOI: 10.1016/j.bmc.2015.11.008
BindingDB Entry DOI: 10.7270/Q2TH8QPX
More data for this
Ligand-Target Pair
Alpha-amylase


(Bacillus subtilis (strain 168))
BDBM50499987
PNG
(CHEMBL3742315)
Show SMILES [H][C@]12[C@H](O)[C@](Oc3cc(O)c(C)c(OC)c13)(Oc1cc(OC)c3CC[C@H](Oc3c21)c1ccccc1)c1ccccc1 |r,THB:3:2:6.15.5:16.17.28|
Show InChI InChI=1S/C33H30O7/c1-18-22(34)16-25-27(30(18)37-3)29-28-26(40-33(39-25,32(29)35)20-12-8-5-9-13-20)17-24(36-2)21-14-15-23(38-31(21)28)19-10-6-4-7-11-19/h4-13,16-17,23,29,32,34-35H,14-15H2,1-3H3/t23-,29-,32-,33+/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis alpha-amylase


Bioorg Med Chem 23: 7641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.11.008
BindingDB Entry DOI: 10.7270/Q2TH8QPX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%