BDBM50101067 (S)-2-(2,4-Dichloro-5-methoxy-phenoxy)-N-[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydro-furan-2-ylmethyl]-propionamide::CHEMBL42820
SMILES: CCc1cn([C@@H]2O[C@H](CNC(=O)[C@H](C)Oc3cc(OC)c(Cl)cc3Cl)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
InChI Key: InChIKey=NQXYZAIBCVSURW-KZEOBUNESA-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 1 (strain SC16) (HHV-1) (Human h...) | BDBM50101067 ((S)-2-(2,4-Dichloro-5-methoxy-phenoxy)-N-[(2R,3R,4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.80 | 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 | |||||||||||||
Thymidine kinase (Human herpesvirus 2) | BDBM50101067 ((S)-2-(2,4-Dichloro-5-methoxy-phenoxy)-N-[(2R,3R,4...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.190 | 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 |