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BDBM50124203 5-IODOURACIL::5-Iodo-1H-pyrimidine-2,4-dione::CHEMBL1173

SMILES: Ic1c[nH]c(=O)[nH]c1=O

InChI Key: InChIKey=KSNXJLQDQOIRIP-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 4 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50124203   
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


(Homo sapiens (Human))
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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MMDB

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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)


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