BDBM50011751 2-{4-[(2-Amino-4-thioxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL177931

SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=S)[nH]1

InChI Key InChIKey=CJFNIXHGCDXVEF-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 = 50011751   

TargetThymidylate synthase(Mouse)
Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50011751(CHEMBL177931 | 2-{4-[(2-Amino-4-thioxo-3,4-dihydro...)
Affinity DataIC50: 19nMAssay Description:Growth inhibition of thymidylate synthase(TS) in L1210 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed