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SMILES: O=c1[nH]cc(C#C)c(=O)[nH]1

InChI Key: InChIKey=JOZGNYDSEBIJDH-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50124202   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydropyrimidine dehydrogenase [NADP(+)]


(Homo sapiens (Human))
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)
PDB
MMDB

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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)


BindingDB Entry DOI: 10.7270/Q21V5DBW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)