BDBM50314839 3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine::CHEMBL1089867
SMILES: Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChI Key: InChIKey=WWMWBLWTLDFTOG-ARFHVFGLSA-N
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 |
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Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50314839 (3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-be...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis | Bioorg Med Chem 19: 7603-11 (2011) Article DOI: 10.1016/j.bmc.2011.10.021 BindingDB Entry DOI: 10.7270/Q2JH3MMD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...) | BDBM50314839 (3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-be...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description Inhibition of HSV1 thymidine kinase assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintillation counting | J Med Chem 53: 2902-12 (2010) Article DOI: 10.1021/jm901532h BindingDB Entry DOI: 10.7270/Q26D5T47 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase, cytosolic (Homo sapiens (Human)) | BDBM50314839 (3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-be...) | 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 | n/a | n/a | 7.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description Inhibition of human recombinant cytosolic thymidine kinase 1 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintillation... | J Med Chem 53: 2902-12 (2010) Article DOI: 10.1021/jm901532h BindingDB Entry DOI: 10.7270/Q26D5T47 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase, mitochondrial (Homo sapiens (Human)) | BDBM50314839 (3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-be...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintilla... | J Med Chem 53: 2902-12 (2010) Article DOI: 10.1021/jm901532h BindingDB Entry DOI: 10.7270/Q26D5T47 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Deoxynucleoside kinase (Drosophila melanogaster) | BDBM50314839 (3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University Curated by ChEMBL | Assay Description Inhibition of Drosophila melanogaster multifunctional deoxynucleoside kinase assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins ... | J Med Chem 53: 2902-12 (2010) Article DOI: 10.1021/jm901532h BindingDB Entry DOI: 10.7270/Q26D5T47 | |||||||||||
More data for this Ligand-Target Pair |