BDBM50028377 CHEMBL29053::CHEMBL3143869::Phosphoric acid mono-{3-hydroxy-5-[5-(3-hydroxy-prop-1-ynyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-2-ylmethyl} ester
SMILES: OCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=SUAVDNSMMJUXNU-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50028377 (CHEMBL3143869 | Phosphoric acid mono-{3-hydroxy-5-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was evaluated for the inhibition of dTMP synthetase from Lactobacillus casei | J Med Chem 24: 1385-8 (1982) BindingDB Entry DOI: 10.7270/Q2MS3RSP | |||||||||||
More data for this Ligand-Target Pair |