BDBM50049285 4-{[2-(4-Methyl-piperazin-1-ylmethyl)-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl]-prop-2-ynyl-amino}-N-(3-nitro-benzyl)-benzamide::CHEMBL161081

SMILES C#CCN(Cc1ccc2nc(CN3CCN(C)CC3)[nH]c(=O)c2c1)c1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1

InChI Key InChIKey=PLMYSCHWIBCUFY-UHFFFAOYSA-N

Data  1 IC50

  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 = 50049285   

TargetThymidylate synthase(Mouse)
Zeneca Pharma

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50049285BDBM50049285(4-{[2-(4-Methyl-piperazin-1-ylmethyl)-4-oxo-3,4-di...)
Affinity DataIC50: 900nMAssay Description:In vitro inhibitory activity against thymidylate synthase partially purified from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed