BDBM50135086 (1S,2S,4S,5R)-5-((1E)-2-Bromovinyl)-1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-1,3-dihydropyrimidine-2,4-dione::5-((E)-2-Bromo-vinyl)-1-((1R,3S,4S,6S)-4-hydroxy-5-hydroxymethyl-bicyclo[3.1.0]hex-2-yl)-1H-pyrimidine-2,4-dione::5-(2-Bromo-vinyl)-1-((1S,2S,4S,5R)-4-hydroxy-5-hydroxymethyl-bicyclo[3.1.0]hex-2-yl)-1H-pyrimidine-2,4-dione::CHEMBL146350
SMILES: OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cc(C=CBr)c(=O)[nH]c1=O
InChI Key: InChIKey=DNFFZQMJVSAHIL-QYTUQVAYSA-N
Data: 1 KI
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)) | BDBM50135086 ((1S,2S,4S,5R)-5-((1E)-2-Bromovinyl)-1-[4-hydroxy-5...) | 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 PubMed | 6.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick Curated by ChEMBL | Assay Description Binding affinity constant against HSV-1 thymidine kinase | J Med Chem 46: 5045-54 (2003) Article DOI: 10.1021/jm030241s BindingDB Entry DOI: 10.7270/Q2BR8SXZ | |||||||||||
More data for this Ligand-Target Pair |