BDBM50040865 (S)-2-{4-[(3-Methyl-1-oxo-1,2-dihydro-benzo[f]quinazolin-9-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL168907::TCMDC-137629

SMILES Cc1nc2ccc3ccc(CNc4ccc(cc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc3c2c(=O)[nH]1

InChI Key InChIKey=UJDJNIQBILGFRO-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 = 50040865   

TargetThymidylate synthase(Human)
Wellcome Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50040865(TCMDC-137629 | (S)-2-{4-[(3-Methyl-1-oxo-1,2-dihyd...)
Affinity DataKi:  0.440nMAssay 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