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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50132257   
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
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50132257
PNG
(1-(4-Benzylamino-but-2-enyl)-5-methyl-1H-pyrimidin...)
Show SMILES Cc1cn(C\C=C/CNCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H19N3O2/c1-13-12-19(16(21)18-15(13)20)10-6-5-9-17-11-14-7-3-2-4-8-14/h2-8,12,17H,9-11H2,1H3,(H,18,20,21)/b6-5-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.70E+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)


BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair
Thymidine kinase, cytosolic


(Homo sapiens (Human))
BDBM50132257
PNG
(1-(4-Benzylamino-but-2-enyl)-5-methyl-1H-pyrimidin...)
Show SMILES Cc1cn(C\C=C/CNCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H19N3O2/c1-13-12-19(16(21)18-15(13)20)10-6-5-9-17-11-14-7-3-2-4-8-14/h2-8,12,17H,9-11H2,1H3,(H,18,20,21)/b6-5-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 HSV-1 Thymidine Kinase


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


BindingDB Entry DOI: 10.7270/Q2T15310
More data for this
Ligand-Target Pair