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PubMed code 3871859

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
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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Article
PubMed
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)
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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Article
PubMed
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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Article
PubMed
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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Article
PubMed
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
* indicates data uncertainty>20%