BDBM50282072 1-((2R,4S,5S)-4-Hydroxy-5-phenethyloxy-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL289626
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](OCCc3ccccc3)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=QWKLAUCYLYKQHF-LZWOXQAQSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50282072 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)) | BDBM50282072
(1-((2R,4S,5S)-4-Hydroxy-5-phenethyloxy-tetrahydro-...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](OCCc3ccccc3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H20N2O5/c1-11-10-19(17(22)18-15(11)21)14-9-13(20)16(24-14)23-8-7-12-5-3-2-4-6-12/h2-6,10,13-14,16,20H,7-9H2,1H3,(H,18,21,22)/t13-,14+,16-/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
| 2.60E+4 | 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)) | BDBM50282072
(1-((2R,4S,5S)-4-Hydroxy-5-phenethyloxy-tetrahydro-...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](OCCc3ccccc3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H20N2O5/c1-11-10-19(17(22)18-15(11)21)14-9-13(20)16(24-14)23-8-7-12-5-3-2-4-6-12/h2-6,10,13-14,16,20H,7-9H2,1H3,(H,18,21,22)/t13-,14+,16-/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 | 2.50E+4 | 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 | |