BDBM50271448 5-[5-Chloro-4-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl-methyl)-phenyl]-butanoic acid::CHEMBL520293
SMILES: OC(=O)CCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1
InChI Key: InChIKey=GUIUESFNWCGBNO-UHFFFAOYSA-N
Data: 2 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) | BDBM50271448 (5-[5-Chloro-4-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant TMPK | Bioorg Med Chem 16: 6075-85 (2008) Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate kinase (Homo sapiens (Human)) | BDBM50271448 (5-[5-Chloro-4-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Inhibition of human TMPK | Bioorg Med Chem 16: 6075-85 (2008) Article DOI: 10.1016/j.bmc.2008.04.045 BindingDB Entry DOI: 10.7270/Q2BR8RZ0 | |||||||||||
More data for this Ligand-Target Pair |