BDBM50081258 2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-8-methanesulfonylamino-8-oxo-octanoic acid::CHEMBL340842

SMILES Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)NC(CCCCCC(=O)NS(C)(=O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1

InChI Key InChIKey=XRYRATXFPWVXKF-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 = 50081258   

TargetThymidylate synthase(Mus musculus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50081258(2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6...)
Affinity DataIC50:  3.20nMAssay Description:Inhibition of isolated thymidylate synthase partially purified from L1210 mouse leukemia cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed