BDBM50282061 1-((2R,4S,5R)-5-Ethynyl-4-hydroxy-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL289100
SMILES: Cc1cn([C@H]2C[C@H](O)[C@H](O2)C#C)c(=O)[nH]c1=O
InChI Key: InChIKey=ZNNAPEIPLZMQPU-DJLDLDEBSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50282061 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)) | BDBM50282061
(1-((2R,4S,5R)-5-Ethynyl-4-hydroxy-tetrahydro-furan...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@H](O2)C#C)c(=O)[nH]c1=O Show InChI InChI=1S/C11H12N2O4/c1-3-8-7(14)4-9(17-8)13-5-6(2)10(15)12-11(13)16/h1,5,7-9,14H,4H2,2H3,(H,12,15,16)/t7-,8+,9+/m0/s1 | 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
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity of the compound against HSV-1 Thymidine kinase |
Bioorg Med Chem Lett 3: 1571-1576 (1993)
Article DOI: 10.1016/S0960-894X(00)80020-7 BindingDB Entry DOI: 10.7270/Q28P60F3 |
More data for this Ligand-Target Pair | |
Thymidine kinase, cytosolic
(Homo sapiens (Human)) | BDBM50282061
(1-((2R,4S,5R)-5-Ethynyl-4-hydroxy-tetrahydro-furan...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@H](O2)C#C)c(=O)[nH]c1=O Show InChI InChI=1S/C11H12N2O4/c1-3-8-7(14)4-9(17-8)13-5-6(2)10(15)12-11(13)16/h1,5,7-9,14H,4H2,2H3,(H,12,15,16)/t7-,8+,9+/m0/s1 | 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
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of HSV-1 Thymidine kinase |
Bioorg Med Chem Lett 3: 1571-1576 (1993)
Article DOI: 10.1016/S0960-894X(00)80020-7 BindingDB Entry DOI: 10.7270/Q28P60F3 |
More data for this Ligand-Target Pair | |