BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Pyridoxal kinase'   
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
Pyridoxal kinase


(Homo sapiens (Human))
BDBM50016821
PNG
(CHEMBL3244684)
Show SMILES Cc1ncc(CO)c(C=C)c1O
Show InChI InChI=1S/C9H11NO2/c1-3-8-7(5-11)4-10-6(2)9(8)12/h3-4,11-12H,1,5H2,2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.25E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of pyridoxal phosphokinase (unknown origin)


J Med Chem 20: 567-72 (1977)

More data for this
Ligand-Target Pair
Pyridoxal kinase


(Homo sapiens (Human))
BDBM50009722
PNG
(CHEMBL3245250)
Show SMILES OCc1cnc(Cl)c(O)c1CO
Show InChI InChI=1S/C7H8ClNO3/c8-7-6(12)5(3-11)4(2-10)1-9-7/h1,10-12H,2-3H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
2.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of pyridoxal phosphokinase (unknown origin)


J Med Chem 20: 745-9 (1977)

More data for this
Ligand-Target Pair
Pyridoxal kinase


(Homo sapiens (Human))
BDBM50009721
PNG
(CHEMBL3244690)
Show SMILES Cl.Cc1c(CO)cnc(C=C)c1O
Show InChI InChI=1S/C9H11NO2.ClH/c1-3-8-9(12)6(2)7(5-11)4-10-8;/h3-4,11-12H,1,5H2,2H3;1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.81E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of pyridoxal phosphokinase (unknown origin) using ATP-gamma-[32P]


J Med Chem 20: 1-5 (1977)

More data for this
Ligand-Target Pair
Pyridoxal kinase


(Homo sapiens (Human))
BDBM50009724
PNG
(CHEMBL3245268)
Show SMILES OCc1cnc(C#C)c(O)c1CO
Show InChI InChI=1S/C9H9NO3/c1-2-8-9(13)7(5-12)6(4-11)3-10-8/h1,3,11-13H,4-5H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.05E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of pyridoxal phosphokinase (unknown origin)


J Med Chem 20: 745-9 (1977)

More data for this
Ligand-Target Pair
Pyridoxal kinase


(Homo sapiens (Human))
BDBM50016820
PNG
(CHEMBL3275146)
Show SMILES Cc1ncc(CO)c(C#C)c1O
Show InChI InChI=1S/C9H9NO2/c1-3-8-7(5-11)4-10-6(2)9(8)12/h1,4,11-12H,5H2,2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.25E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of pyridoxal phosphokinase (unknown origin)


J Med Chem 20: 567-72 (1977)

More data for this
Ligand-Target Pair
Pyridoxal kinase


(Homo sapiens (Human))
BDBM207992
PNG
(ML349)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
Show InChI InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled ML349 binding to HEK293T cells-derived His-tagged PDXK expressed in Escherichia coli BL21(DE3) after 30 mins by flu...


ACS Med Chem Lett 8: 215-220 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00441
More data for this
Ligand-Target Pair
Pyridoxal kinase


(Homo sapiens (Human))
BDBM50212216
PNG
(CHEMBL3944678)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCn3cc(COc4ccc(cc4)N4CCN(CC4)C(=O)c4cc5CS(=O)(=O)c6ccccc6-c5s4)nn3)[C@@]1([H])NC(=O)N2 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled ML349 binding to HEK293T cells-derived His-tagged PDXK expressed in Escherichia coli BL21(DE3) after 30 mins by flu...


ACS Med Chem Lett 8: 215-220 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00441
More data for this
Ligand-Target Pair