BDBM50132294 1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,5S)-4-Amino-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL103356
SMILES: Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=ADVCGXWUUOVPPB-XLPZGREQSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50132294 (1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis | Bioorg Med Chem Lett 13: 3045-8 (2003) BindingDB Entry DOI: 10.7270/Q237798X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase (Rattus norvegicus) | BDBM50132294 (1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition against rat cytoplasmic Thymidine kinase | J Med Chem 25: 644-9 (1982) BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase 2 (Rattus norvegicus) | BDBM50132294 (1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydro...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition against rat mitochondrial thymidine kinase | J Med Chem 25: 644-9 (1982) BindingDB Entry DOI: 10.7270/Q2GQ6ZBJ | |||||||||||
More data for this Ligand-Target Pair |