BDBM50314850 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)thiourea::CHEMBL1091873
SMILES: Cc1cn([C@H]2C[C@H](NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=MZDLFVKFDHPYOO-BFHYXJOUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate kinase (Mycobacterium tuberculosis) | BDBM50314850 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-((2S,3S,5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.90E+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, cytosolic (Homo sapiens (Human)) | BDBM50314850 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-((2S,3S,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 | n/a | n/a | 3.16E+5 | 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)) | BDBM50314850 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-((2S,3S,5...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | 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 |