BDBM50288984 (S)-4-[(S)-1-Carboxy-3-(1H-tetrazol-5-yl)-propylcarbamoyl]-2-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-butyric acid::CHEMBL157459
SMILES: Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCc4nnn[nH]4)C(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1
InChI Key: InChIKey=WVIKBEPPBZWZDN-ZEQRLZLVSA-N
Data: 2 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) | BDBM50288984![]() ((S)-4-[(S)-1-Carboxy-3-(1H-tetrazol-5-yl)-propylca...) | 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 | 0.820 | 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 in experiment 1 | 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 | |||||||||||||
Thymidylate synthase (Mus musculus) | BDBM50288984![]() ((S)-4-[(S)-1-Carboxy-3-(1H-tetrazol-5-yl)-propylca...) | 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 | 1.90 | 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 in experiment 1 | 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 |