BDBM50042382 2-[4-(3-Amino-1-oxo-1,2,5,6-tetrahydro-benzo[f]quinazoline-8-sulfonylamino)-benzoylamino]-pentanedioic acid::CHEMBL116589

SMILES Nc1nc2c(c(=O)[nH]1)-c1ccc(S(=O)(=O)Nc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc1CC2

InChI Key InChIKey=FSHQGUZSGYQVSI-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 = 50042382   

TargetThymidylate synthase(Human)
Wellcome Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50042382BDBM50042382(2-[4-(3-Amino-1-oxo-1,2,5,6-tetrahydro-benzo[f]qui...)
Affinity DataKi:  57nMAssay 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