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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dihydropteridine reductase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025881
PNG
(4-(3,4-Dihydroxy-phenyl)-1-methyl-pyridinium; brom...)
Show SMILES C[n+]1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H11NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-8,15H,1H3/p+1
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1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive Inhibitory activity against rat striatal synaptosomal DHPR enzyme


J Med Chem 28: 311-7 (1985)


Article DOI: 10.1021/jm00381a009
BindingDB Entry DOI: 10.7270/Q2XK8DKG
More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Homo sapiens (Human))
BDBM50025879
PNG
(4-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-pheno...)
Show SMILES CN1CCC(=CC1)c1ccc(O)cc1
Show InChI InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3
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2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Dihydrofolate reductase of rat liver


J Med Chem 28: 311-7 (1985)


Article DOI: 10.1021/jm00381a009
BindingDB Entry DOI: 10.7270/Q2XK8DKG
More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025878
PNG
(4-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-benze...)
Show SMILES CN1CCC(=CC1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H15NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-4,8,14-15H,5-7H2,1H3
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3.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Dihydrofolate reductase of rat liver


J Med Chem 28: 311-7 (1985)


Article DOI: 10.1021/jm00381a009
BindingDB Entry DOI: 10.7270/Q2XK8DKG
More data for this
Ligand-Target Pair
Dihydropteridine reductase


(Rattus norvegicus)
BDBM50025880
PNG
(4-(1-Methyl-piperidin-4-yl)-benzene-1,2-diol | CHE...)
Show SMILES CN1CCC(CC1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H17NO2/c1-13-6-4-9(5-7-13)10-2-3-11(14)12(15)8-10/h2-3,8-9,14-15H,4-7H2,1H3
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7.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Dihydrofolate reductase of rat liver


J Med Chem 28: 311-7 (1985)


Article DOI: 10.1021/jm00381a009
BindingDB Entry DOI: 10.7270/Q2XK8DKG
More data for this
Ligand-Target Pair
Oxygen-insensitive NAD(P)H nitroreductase


(Escherichia coli K-12)
BDBM50505033
PNG
(CHEMBL4518887)
Show SMILES [O-][N+](=O)c1ccc2CNP(=O)(Oc2c1)N(CCCl)CCCl
Show InChI InChI=1S/C11H14Cl2N3O4P/c12-3-5-15(6-4-13)21(19)14-8-9-1-2-10(16(17)18)7-11(9)20-21/h1-2,7H,3-6,8H2,(H,14,19)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli nitroreductase expressed in human HCT116 cells


J Med Chem 62: 2851-2893 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00147
More data for this
Ligand-Target Pair