BDBM50011243 2-{4-[(4-Hydroxy-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL171480

SMILES OC(=O)CCC(NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O

InChI Key InChIKey=AOGOUTMDEVCZHA-UHFFFAOYSA-N

Data  3 KI  2 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 = 50011243   

TargetThymidylate synthase(Mus musculus)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50011243(2-{4-[(4-Hydroxy-quinazolin-6-ylmethyl)-prop-2-yny...)
Affinity DataIC50:  160nMAssay Description:The compound was not tested for inhibition of L1210 Thymidylate synthase due to insolubilityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed