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

SMILES Cc1nc2c(c(=O)[nH]1)-c1cc(S(=O)(=O)N(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)ccc1CC2

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
LigandChemical structure of BindingDB Monomer ID 50042374BDBM50042374(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