BDBM50132249 2-(4-Chloro-phenyl)-N-[4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-but-2-enyl]-acetamide::CHEMBL105288
SMILES: Cc1cn(C\C=C/CNC(=O)Cc2ccc(Cl)cc2)c(=O)[nH]c1=O
InChI Key: InChIKey=SGVXKLFRDRCBCG-IHWYPQMZSA-N
Data: 2 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)) | BDBM50132249 (2-(4-Chloro-phenyl)-N-[4-(5-methyl-2,4-dioxo-3,4-d...) | 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 | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2T15310 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase, cytosolic (Homo sapiens (Human)) | BDBM50132249 (2-(4-Chloro-phenyl)-N-[4-(5-methyl-2,4-dioxo-3,4-d...) | 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 | 1.98E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |