BDBM50206507 1-[2'-O-(N-Boc-12-aminododecanoyl)-beta-D-arabinofuranosyl]-5(E)-(2-bromovinyl)uracil::CHEMBL400232
SMILES: CC(C)(C)OC(=O)NCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O
InChI Key: InChIKey=KDSMSKFGBACPTI-BQXRJHOYSA-N
Data: 3 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, mitochondrial (Homo sapiens (Human)) | BDBM50206507 (1-[2'-O-(N-Boc-12-aminododecanoyl)-beta-D-arabinof...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation | Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...) | BDBM50206507 (1-[2'-O-(N-Boc-12-aminododecanoyl)-beta-D-arabinof...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Inhibition of HSV1 TK assessed as [methyl-3H]dThd phosphorylation | Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...) | BDBM50206507 (1-[2'-O-(N-Boc-12-aminododecanoyl)-beta-D-arabinof...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Inhibition of VZV TK assessed as [methyl-3H]dThd phosphorylation | Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76 | |||||||||||
More data for this Ligand-Target Pair |