BDBM50042374 2-{Methyl-[4-(3-methyl-1-oxo-1,2,5,6-tetrahydro-benzo[f]quinazoline-9-sulfonylamino)-benzoyl]-amino}-pentanedioic acid::CHEMBL117687

SMILES CN(c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)S(=O)(=O)c1ccc2CCc3nc(C)[nH]c(=O)c3-c2c1

InChI Key InChIKey=LXIRCNCEHHMOMC-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 = 50042374   

TargetThymidylate synthase(Human)
Wellcome Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50042374(2-{Methyl-[4-(3-methyl-1-oxo-1,2,5,6-tetrahydro-be...)
Affinity DataKi:  1.67E+4nMAssay 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