BDBM50118493 3,3-Dimethyl-butyric acid 3-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propenyl ester::CHEMBL135079
SMILES: Cc1cn(C\C=C/OC(=O)CC(C)(C)C)c(=O)[nH]c1=O
InChI Key: InChIKey=XXUUQEGTIYRCQI-ALCCZGGFSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidine kinase, cytosolic (Homo sapiens (Human)) | BDBM50118493 (3,3-Dimethyl-butyric acid 3-(5-methyl-2,4-dioxo-3,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |