Found 6 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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...) | BDBM50206500
(CHEMBL241166 | N2-octanoyl-9-(2'-O-octanoyl-beta-D...)Show SMILES CCCCCCCC(=O)Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCC Show InChI InChI=1S/C26H41N5O7/c1-3-5-7-9-11-13-18(33)28-26-29-23-20(24(36)30-26)27-16-31(23)25-22(21(35)17(15-32)37-25)38-19(34)14-12-10-8-6-4-2/h16-17,21-22,25,32,35H,3-15H2,1-2H3,(H2,28,29,30,33,36)/t17-,21-,22+,25-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL KEGG 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 | |
Deoxynucleoside kinase
(Drosophila melanogaster) | BDBM50206500
(CHEMBL241166 | N2-octanoyl-9-(2'-O-octanoyl-beta-D...)Show SMILES CCCCCCCC(=O)Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCC Show InChI InChI=1S/C26H41N5O7/c1-3-5-7-9-11-13-18(33)28-26-29-23-20(24(36)30-26)27-16-31(23)25-22(21(35)17(15-32)37-25)38-19(34)14-12-10-8-6-4-2/h16-17,21-22,25,32,35H,3-15H2,1-2H3,(H2,28,29,30,33,36)/t17-,21-,22+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG 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 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 2, mitochondrial
(Homo sapiens (Human)) | BDBM50206500
(CHEMBL241166 | N2-octanoyl-9-(2'-O-octanoyl-beta-D...)Show SMILES CCCCCCCC(=O)Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCC Show InChI InChI=1S/C26H41N5O7/c1-3-5-7-9-11-13-18(33)28-26-29-23-20(24(36)30-26)27-16-31(23)25-22(21(35)17(15-32)37-25)38-19(34)14-12-10-8-6-4-2/h16-17,21-22,25,32,35H,3-15H2,1-2H3,(H2,28,29,30,33,36)/t17-,21-,22+,25-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG 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 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
(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...) | BDBM50206500
(CHEMBL241166 | N2-octanoyl-9-(2'-O-octanoyl-beta-D...)Show SMILES CCCCCCCC(=O)Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCC Show InChI InChI=1S/C26H41N5O7/c1-3-5-7-9-11-13-18(33)28-26-29-23-20(24(36)30-26)27-16-31(23)25-22(21(35)17(15-32)37-25)38-19(34)14-12-10-8-6-4-2/h16-17,21-22,25,32,35H,3-15H2,1-2H3,(H2,28,29,30,33,36)/t17-,21-,22+,25-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG 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 | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50206500
(CHEMBL241166 | N2-octanoyl-9-(2'-O-octanoyl-beta-D...)Show SMILES CCCCCCCC(=O)Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCC Show InChI InChI=1S/C26H41N5O7/c1-3-5-7-9-11-13-18(33)28-26-29-23-20(24(36)30-26)27-16-31(23)25-22(21(35)17(15-32)37-25)38-19(34)14-12-10-8-6-4-2/h16-17,21-22,25,32,35H,3-15H2,1-2H3,(H2,28,29,30,33,36)/t17-,21-,22+,25-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG 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 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 | |
Diacylglycerol kinase 1
(Drosophila melanogaster) | BDBM50206500
(CHEMBL241166 | N2-octanoyl-9-(2'-O-octanoyl-beta-D...)Show SMILES CCCCCCCC(=O)Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCC Show InChI InChI=1S/C26H41N5O7/c1-3-5-7-9-11-13-18(33)28-26-29-23-20(24(36)30-26)27-16-31(23)25-22(21(35)17(15-32)37-25)38-19(34)14-12-10-8-6-4-2/h16-17,21-22,25,32,35H,3-15H2,1-2H3,(H2,28,29,30,33,36)/t17-,21-,22+,25-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL KEGG 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 Drosophila melanogaster dGK 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 | |