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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Fructose-bisphosphate aldolase' AND taxid = 85962   
Target
(Institution)
LigandTarget
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
Fructose-bisphosphate aldolase


(Helicobacter pylori)
BDBM50330438
PNG
(3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihyd...)
Show SMILES ON(CCCOP(O)(O)=O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
13n/an/an/an/an/an/an/an/a



Univ Paris-Sud

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-bisphosphate aldolase


(Helicobacter pylori)
BDBM50330436
PNG
(2-(hydroxy(3-hydroxypropyl)amino)-2-oxoethyl hydro...)
Show SMILES OCCCN(O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C5H12NO7P/c7-3-1-2-6(9)5(8)4-13-14(10,11)12/h7,9H,1-4H2,(H2,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.70E+3n/an/an/an/an/an/an/an/a



Univ Paris-Sud

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109


Citation and Details
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase


(Helicobacter pylori)
BDBM50330437
PNG
(1,6-di-O-phosphono-D-fructose | 2,3,4-trihydroxy-5...)
Show SMILES OC(COP(O)(O)=O)[C@@H](O)C(=O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-5,7-9H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3?,4-,5-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.70E+4n/an/an/an/an/an/an/an/a



Univ Paris-Sud

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109


Citation and Details
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase


(Helicobacter pylori)
BDBM50330433
PNG
(4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydr...)
Show SMILES ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O
Show InChI InChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 131n/an/an/an/an/an/a



Univ Paris-Sud

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)