BDBM50040859 (S)-2-{5-[Methyl-(3-methyl-1-oxo-1,2-dihydro-benzo[f]quinazolin-9-ylmethyl)-amino]-1-oxo-1,3-dihydro-isoindol-2-yl}-pentanedioic acid::CHEMBL355616

SMILES Cc1nc2ccc3ccc(CN(C)c4ccc5c(c4)CN([C@@H](CCC(=O)O)C(=O)O)C5=O)cc3c2c(=O)[nH]1

InChI Key InChIKey=JBJJLVIRPKDBDP-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040859   

TargetThymidylate synthase(Human)
Wellcome Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50040859BDBM50040859((S)-2-{5-[Methyl-(3-methyl-1-oxo-1,2-dihydro-benzo...)
Affinity DataKi:  2.5nMAssay Description:The compound was tested for inhibitory activity against thymidylate synthase (purified recombinant human gene) from Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed