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BDBM50132253 5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimidine-2,4-dione::CHEMBL322230

SMILES: Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O

InChI Key: InChIKey=SDXCTQZUJCBSEC-QXMHVHEDSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50132253   
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
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50132253
PNG
(5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...)
Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-
PDB
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50132253
PNG
(5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...)
Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50132253
PNG
(5-Methyl-1-[4-(trityl-amino)-but-2-enyl]-1H-pyrimi...)
Show SMILES Cc1cn(C\C=C/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27N3O2/c1-22-21-31(27(33)30-26(22)32)20-12-11-19-29-28(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-18,21,29H,19-20H2,1H3,(H,30,32,33)/b12-11-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2


Bioorg Med Chem Lett 13: 3027-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00639-5
BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair