BDBM50288985 (S)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-4-[(S)-1-(1H-tetrazol-5-yl)-ethylcarbamoyl]-butyric acid::CHEMBL157025
SMILES: C[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(cc1F)N(CC#C)Cc1cc2c(cc1C)nc(C)[nH]c2=O)C(O)=O)c1nnn[nH]1
InChI Key: InChIKey=XPWJYJITPLJYMI-HJPURHCSSA-N
Data: 1 IC50
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 (Mus musculus) | BDBM50288985![]() ((S)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazol...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of Thymidylate synthase. | Bioorg Med Chem Lett 6: 631-636 (1996) Article DOI: 10.1016/0960-894X(96)00078-9 BindingDB Entry DOI: 10.7270/Q2XS5VC3 | |||||||||||
More data for this Ligand-Target Pair |