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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 317.3
BDBM50120841

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
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)


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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
<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