BDBM50100414 1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::BDBM50206490::CHEMBL400411::CHEMBL418021
SMILES: CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChI Key: InChIKey=KSJKYOFITYMQNA-UHFFFAOYSA-N
Data: 10 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...) | BDBM50100414 (1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...) | PDB UniProtKB/SwissProt 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 Compound was evaluated for inhibitory activity towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligan... | Bioorg Med Chem Lett 11: 1329-32 (2001) BindingDB Entry DOI: 10.7270/Q27W6CRF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Deoxynucleoside kinase (Drosophila melanogaster) | BDBM50100414 (1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK) | 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)) | BDBM50100414 (1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...) | 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...) | BDBM50100414 (1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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 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 (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...) | BDBM50100414 (1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | 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 | |||||||||||||
Thymidine kinase, mitochondrial (Homo sapiens (Human)) | BDBM50100414 (1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+5 | 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 | |||||||||||||
Deoxynucleoside kinase (Drosophila melanogaster) | BDBM50100414 (1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Inhibition of Drosophila melanogaster dNK 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...) | BDBM50100414 (1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | 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, cytosolic (Homo sapiens (Human)) | BDBM50100414 (1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ferrara Curated by ChEMBL | Assay Description Inhibition of human TK1 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, mitochondrial (Homo sapiens (Human)) | BDBM50100414 (1-(4-Hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.20E+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 |