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Compile Data Set for Download or QSAR

Found 8 hits of ki for UniProtKB: P00690   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM92367
PNG
(GPESB15)
Show SMILES O[C@@H]1O[C@H](Cn2cc(nn2)C2=CCCCC2)[C@H](O)C1O |r,t:11|
Show InChI InChI=1S/C13H19N3O4/c17-11-10(20-13(19)12(11)18)7-16-6-9(14-15-16)8-4-2-1-3-5-8/h4,6,10-13,17-19H,1-3,5,7H2/t10-,11+,12?,13-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
3.36E+4 -6.34 3.58E+4n/an/an/an/a7.037



Yonsei University



Assay Description
To test whether GCTs share a common binding pocket on PPA with acarbose, we performed an experiment according to the method of Yonetani and Theorell.


Chembiochem 13: 1584-93 (2012)


Article DOI: 10.1002/cbic.201200272
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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CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
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)

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


(Sus scrofa (Pig))
BDBM92366
PNG
(GPESB14)
Show SMILES O[C@@H]1O[C@H](Cn2cc(nn2)-c2ccccc2)[C@H](O)C1O |r|
Show InChI InChI=1S/C13H15N3O4/c17-11-10(20-13(19)12(11)18)7-16-6-9(14-15-16)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2/t10-,11+,12?,13-/m1/s1
PDB
MMDB

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UniChem
Article
PubMed
2.04E+5 -5.23 8.89E+4n/an/an/an/a7.037



Yonsei University



Assay Description
To test whether GCTs share a common binding pocket on PPA with acarbose, we performed an experiment according to the method of Yonetani and Theorell.


Chembiochem 13: 1584-93 (2012)


Article DOI: 10.1002/cbic.201200272
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM92365
PNG
(GPESB11)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(COC(C)=O)nn2)[C@@H]2OC(C)(C)OC12 |r|
Show InChI InChI=1S/C14H21N3O6/c1-8(18)20-7-9-5-17(16-15-9)6-10-11-12(13(19-4)21-10)23-14(2,3)22-11/h5,10-13H,6-7H2,1-4H3/t10-,11+,12?,13-/m1/s1
PDB
MMDB

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UniChem
Article
PubMed
2.34E+5 -5.15 1.25E+5n/an/an/an/a7.037



Yonsei University



Assay Description
To test whether GCTs share a common binding pocket on PPA with acarbose, we performed an experiment according to the method of Yonetani and Theorell.


Chembiochem 13: 1584-93 (2012)


Article DOI: 10.1002/cbic.201200272
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM92363
PNG
(GPESB02)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)C2=CCCCC2)[C@@H]2OC(C)(C)OC12 |r,t:12|
Show InChI InChI=1S/C17H25N3O4/c1-17(2)23-14-13(22-16(21-3)15(14)24-17)10-20-9-12(18-19-20)11-7-5-4-6-8-11/h7,9,13-16H,4-6,8,10H2,1-3H3/t13-,14+,15?,16-/m1/s1
PDB
MMDB

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UniChem
Article
PubMed
3.42E+5 -4.92 1.50E+5n/an/an/an/a7.037



Yonsei University



Assay Description
To test whether GCTs share a common binding pocket on PPA with acarbose, we performed an experiment according to the method of Yonetani and Theorell.


Chembiochem 13: 1584-93 (2012)


Article DOI: 10.1002/cbic.201200272
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM92362
PNG
(GPESB01)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H]2OC(C)(C)OC12 |r|
Show InChI InChI=1S/C17H21N3O4/c1-17(2)23-14-13(22-16(21-3)15(14)24-17)10-20-9-12(18-19-20)11-7-5-4-6-8-11/h4-9,13-16H,10H2,1-3H3/t13-,14+,15?,16-/m1/s1
PDB
MMDB

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UniChem
Article
PubMed
7.80E+5 -4.41 3.61E+5n/an/an/an/a7.037



Yonsei University



Assay Description
To test whether GCTs share a common binding pocket on PPA with acarbose, we performed an experiment according to the method of Yonetani and Theorell.


Chembiochem 13: 1584-93 (2012)


Article DOI: 10.1002/cbic.201200272
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM92364
PNG
(GPESB07)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)C2(O)CCCCC2)[C@@H]2OC(C)(C)OC12 |r|
Show InChI InChI=1S/C17H27N3O5/c1-16(2)24-13-11(23-15(22-3)14(13)25-16)9-20-10-12(18-19-20)17(21)7-5-4-6-8-17/h10-11,13-15,21H,4-9H2,1-3H3/t11-,13+,14?,15-/m1/s1
PDB
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UniChem
Article
PubMed
1.01E+6 -4.25 3.56E+5n/an/an/an/a7.037



Yonsei University



Assay Description
To test whether GCTs share a common binding pocket on PPA with acarbose, we performed an experiment according to the method of Yonetani and Theorell.


Chembiochem 13: 1584-93 (2012)


Article DOI: 10.1002/cbic.201200272
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 |r|
Show InChI InChI=1/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-/s2
PDB
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UniChem

Patents

PubMed
<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)

More data for this
Ligand-Target Pair