BDBM50101053 9H-Xanthene-9-carboxylic acid [(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-amide::CHEMBL47089
SMILES: CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Oc4ccccc34)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=BSPCELJBUAMHEE-IOMROCGXSA-N
Data: 2 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 2) | BDBM50101053 (9H-Xanthene-9-carboxylic acid [(2R,3S,5R)-5-(5-eth...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discovery Welwyn Curated by ChEMBL | Assay Description Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK) | Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...) | BDBM50101053 (9H-Xanthene-9-carboxylic acid [(2R,3S,5R)-5-(5-eth...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discovery Welwyn Curated by ChEMBL | Assay Description Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK) | Bioorg Med Chem Lett 11: 1655-8 (2001) BindingDB Entry DOI: 10.7270/Q2BZ65B6 | |||||||||||
More data for this Ligand-Target Pair |