BDBM50040864 (S)-2-{4-[Methyl-(3-methyl-1-oxo-1,2-dihydro-benzo[f]quinazolin-9-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL168367::TCMDC-138089

SMILES Cc1nc2ccc3ccc(CN(C)c4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc4)cc3c2c(=O)[nH]1

InChI Key InChIKey=ILNBQTXZIYGADS-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040864   

TargetThymidylate synthase(Human)
Wellcome Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50040864BDBM50040864(TCMDC-138089 | (S)-2-{4-[Methyl-(3-methyl-1-oxo-1,...)
Affinity DataKi:  22nMAssay Description:The compound was tested for inhibitory activity against thymidylate synthase (purified recombinant human gene) from Escherichia coli.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed