BDBM50326712 2(R)-[4(S)-carboxy-4-[4-[N-(2-hydroxymethyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-N-(2-propynyl)amino]-benzamido]butyramido]pentanedioic acid::CHEMBL1253498

SMILES C#CCN(c1ccc(C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)cc1)C1CCc2cc3nc(CO)[nH]c(=O)c3cc21

InChI Key InChIKey=NVHRBQOZEMFKLD-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 50326712   

TargetEstrogen receptor(Human)
Institute of Theoretical Studies Ggmbh

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326712BDBM50326712(2(R)-[4(S)-carboxy-4-[4-[N-(2-hydroxymethyl-4-oxo-...)
Affinity DataIC50: 1nMAssay Description:Inhibition of ERalpha expressed in human tumor cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Institute of Theoretical Studies Ggmbh

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326712BDBM50326712(2(R)-[4(S)-carboxy-4-[4-[N-(2-hydroxymethyl-4-oxo-...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of thymine synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed