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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Pyridoxal phosphate phosphatase' AND taxid = 10090   
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
Pyridoxal phosphate phosphatase


(Mus musculus)
BDBM50084936
PNG
(CHEMBL3427368)
Show SMILES Cc1ncc(CCP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C9H12NO5P/c1-6-9(12)8(5-11)7(4-10-6)2-3-16(13,14)15/h4-5,12H,2-3H2,1H3,(H2,13,14,15)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.90E+4n/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse brain PDXP expressed in Escherichia coli BL21 (DE3) cells assessed as pyridoxal 5' phosphate dephosphorylation preinc...


Bioorg Med Chem 23: 2819-27 (2015)

More data for this
Ligand-Target Pair
Pyridoxal phosphate phosphatase


(Mus musculus)
BDBM50084935
PNG
(CHEMBL3427369)
Show SMILES Cc1ncc(\C=C\P(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C9H10NO5P/c1-6-9(12)8(5-11)7(4-10-6)2-3-16(13,14)15/h2-5,12H,1H3,(H2,13,14,15)/b3-2+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.46E+5n/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse brain PDXP expressed in Escherichia coli BL21 (DE3) cells assessed as pyridoxal 5' phosphate dephosphorylation preinc...


Bioorg Med Chem 23: 2819-27 (2015)

More data for this
Ligand-Target Pair
Pyridoxal phosphate phosphatase


(Mus musculus)
BDBM50084933
PNG
(CHEMBL3427371)
Show SMILES Cc1ncc(\C=C\P(O)(O)=O)c(CO)c1O
Show InChI InChI=1S/C9H12NO5P/c1-6-9(12)8(5-11)7(4-10-6)2-3-16(13,14)15/h2-4,11-12H,5H2,1H3,(H2,13,14,15)/b3-2+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.30E+6n/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse brain PDXP expressed in Escherichia coli BL21 (DE3) cells assessed as pyridoxal 5' phosphate dephosphorylation preinc...


Bioorg Med Chem 23: 2819-27 (2015)

More data for this
Ligand-Target Pair
Pyridoxal phosphate phosphatase


(Mus musculus)
BDBM50084934
PNG
(CHEMBL3427370)
Show SMILES Cc1ncc(CCP(O)(O)=O)c(CO)c1O
Show InChI InChI=1S/C9H14NO5P/c1-6-9(12)8(5-11)7(4-10-6)2-3-16(13,14)15/h4,11-12H,2-3,5H2,1H3,(H2,13,14,15)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 1.30E+6n/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse brain PDXP expressed in Escherichia coli BL21 (DE3) cells assessed as pyridoxal 5' phosphate dephosphorylation preinc...


Bioorg Med Chem 23: 2819-27 (2015)

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