BDBM50100415 CHEMBL26672::CHEMBL399413::Methoxy-acetic acid 2-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl ester
SMILES: COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O
InChI Key: InChIKey=NNONZLUPBQRBKD-UHFFFAOYSA-N
Data: 4 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 (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...) | BDBM50100415 (CHEMBL399413 | Methoxy-acetic acid 2-[5-((E)-2-bro...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK) | Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase, cytosolic (Homo sapiens (Human)) | BDBM50100415 (CHEMBL399413 | Methoxy-acetic acid 2-[5-((E)-2-bro...) | 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 | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Inhibitory concentration against cytosolic thymidine kinase (TK-1) | Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...) | BDBM50100415 (CHEMBL399413 | Methoxy-acetic acid 2-[5-((E)-2-bro...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK) | Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase, mitochondrial (Homo sapiens (Human)) | BDBM50100415 (CHEMBL399413 | Methoxy-acetic acid 2-[5-((E)-2-bro...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Inhibitory concentration against mitochondrial thymidine kinase (TK-2) | Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF | |||||||||||
More data for this Ligand-Target Pair |