BDBM50042376 2-{[4-(3-Amino-1-oxo-1,2,5,6-tetrahydro-benzo[f]quinazoline-8-sulfonylamino)-benzoyl]-prop-2-ynyl-amino}-pentanedioic acid::CHEMBL333402

SMILES C#CCN(c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)S(=O)(=O)c1ccc2c(c1)CCc1nc(N)[nH]c(=O)c1-2

InChI Key InChIKey=NIJYHRXKCCSJSA-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 = 50042376   

TargetThymidylate synthase(Human)
Wellcome Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50042376BDBM50042376(2-{[4-(3-Amino-1-oxo-1,2,5,6-tetrahydro-benzo[f]qu...)
Affinity DataKi:  660nMAssay Description:Inhibition of purified human thymidylate synthase isolated from an Escherichia coli harboring thy A gene cloned from SV40 transformed human fibroblas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed