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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Pyridoxal kinase' AND taxid = 9606   
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 kinase


(Homo sapiens)
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

Similars

AffyNet 
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)
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

Similars

AffyNet 
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)
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

Similars

AffyNet 
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)
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

Similars

AffyNet 
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)
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

Similars

AffyNet 
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