BDBM50017873 2-{4-[Allyl-(2-amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL169071
SMILES: Nc1nc2ccc(CN(CC=C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key: InChIKey=SIIMUVGIECSKEQ-UHFFFAOYSA-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 |
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Thymidylate synthase (Mus musculus) | BDBM50017873 (2-{4-[Allyl-(2-amino-4-oxo-3,4-dihydro-quinazolin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibitory concentration of compound to inhibit Thymidylate synthase (TS) in L1210 cells at conc. of 200 microM | J Med Chem 32: 847-52 (1989) BindingDB Entry DOI: 10.7270/Q2BP01SB | |||||||||||
More data for this Ligand-Target Pair |