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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Dihydropyrimidine dehydrogenase' 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
Dihydropyrimidine dehydrogenase


(Homo sapiens)
BDBM50124202
PNG
(5-Ethynyl-1H-pyrimidine-2,4-dione | CHEMBL355200)
Show SMILES O=c1[nH]cc(C#C)c(=O)[nH]1
Show InChI InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)
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n/an/a 14n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against dihydropyrimidine dehydrogenase (DPD)


Bioorg Med Chem Lett 13: 867-72 (2003)

More data for this
Ligand-Target Pair
Dihydropyrimidine dehydrogenase


(Homo sapiens)
BDBM50124200
PNG
(5-((E)-Styryl)-1H-pyrimidine-2,4-dione | CHEMBL352...)
Show SMILES O=c1[nH]cc(C=Cc2ccccc2)c(=O)[nH]1
Show InChI InChI=1S/C12H10N2O2/c15-11-10(8-13-12(16)14-11)7-6-9-4-2-1-3-5-9/h1-8H,(H2,13,14,15,16)
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n/an/a 43n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against dihydropyrimidine dehydrogenase (DPD)


Bioorg Med Chem Lett 13: 867-72 (2003)

More data for this
Ligand-Target Pair
Dihydropyrimidine dehydrogenase


(Homo sapiens)
BDBM50124204
PNG
(5-Vinyl-1H-pyrimidine-2,4-dione | CHEMBL170188)
Show SMILES C=Cc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C6H6N2O2/c1-2-4-3-7-6(10)8-5(4)9/h2-3H,1H2,(H2,7,8,9,10)
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n/an/a 89n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against dihydropyrimidine dehydrogenase (DPD)


Bioorg Med Chem Lett 13: 867-72 (2003)

More data for this
Ligand-Target Pair
Dihydropyrimidine dehydrogenase


(Homo sapiens)
BDBM50124201
PNG
(5-(3-Benzyloxy-benzyl)-1H-pyrimidine-2,4-dione | C...)
Show SMILES O=c1[nH]cc(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]1
Show InChI InChI=1S/C18H16N2O3/c21-17-15(11-19-18(22)20-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H2,19,20,21,22)
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n/an/a 97n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against dihydropyrimidine dehydrogenase (DPD)


Bioorg Med Chem Lett 13: 867-72 (2003)

More data for this
Ligand-Target Pair
Dihydropyrimidine dehydrogenase


(Homo sapiens)
BDBM50124205
PNG
(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonit...)
Show SMILES O=c1[nH]cc(C#N)c(=O)[nH]1
Show InChI InChI=1S/C5H3N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,(H2,7,8,9,10)
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n/an/a 200n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against dihydropyrimidine dehydrogenase (DPD)


Bioorg Med Chem Lett 13: 867-72 (2003)

More data for this
Ligand-Target Pair
Dihydropyrimidine dehydrogenase


(Homo sapiens)
BDBM50124203
PNG
(5-IODOURACIL | 5-Iodo-1H-pyrimidine-2,4-dione | CH...)
Show SMILES Ic1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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PubMed
n/an/a 220n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against dihydropyrimidine dehydrogenase (DPD)


Bioorg Med Chem Lett 13: 867-72 (2003)

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