BDBM50282063 1-[(2R,4S,5S)-4-Hydroxy-5-(3-phenyl-propoxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL41698
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](OCCCc3ccccc3)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=ZTDSDOIIMFFBIT-UXLLHSPISA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50282063 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)) | BDBM50282063
(1-[(2R,4S,5S)-4-Hydroxy-5-(3-phenyl-propoxy)-tetra...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](OCCCc3ccccc3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C18H22N2O5/c1-12-11-20(18(23)19-16(12)22)15-10-14(21)17(25-15)24-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11,14-15,17,21H,5,8-10H2,1H3,(H,19,22,23)/t14-,15+,17-/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
| 4.30E+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)) | BDBM50282063
(1-[(2R,4S,5S)-4-Hydroxy-5-(3-phenyl-propoxy)-tetra...)Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](OCCCc3ccccc3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C18H22N2O5/c1-12-11-20(18(23)19-16(12)22)15-10-14(21)17(25-15)24-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11,14-15,17,21H,5,8-10H2,1H3,(H,19,22,23)/t14-,15+,17-/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 | 1.00E+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 | |