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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50118493   
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))		BDBM50118493
PNG
(3,3-Dimethyl-butyric acid 3-(5-methyl-2,4-dioxo-3,...)
Show SMILES Cc1cn(C\C=C/OC(=O)CC(C)(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H20N2O4/c1-10-9-16(13(19)15-12(10)18)6-5-7-20-11(17)8-14(2,3)4/h5,7,9H,6,8H2,1-4H3,(H,15,18,19)/b7-5-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)

J Med Chem 45: 4254-63 (2002)


BindingDB Entry DOI: 10.7270/Q2GQ6ZGB
More data for this
Ligand-Target Pair