BDBM50158423 CHEMBL224868::N-[4-[(2-amino-6-mtehyl-3,4-dihydro-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)thio]-2'chlorobenzoyl]-L-glutamic acid

SMILES Cc1c(c2c([nH]1)N=C(NC2=O)N)Sc3ccc(c(c3)Cl)C(=O)NC(CCC(=O)O)C(=O)O

InChI Key InChIKey=DTVBRZFMWHDIOO-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  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 3 hits for monomerid = 50158423   

TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158423(N-[4-[(2-amino-6-mtehyl-3,4-dihydro-4-oxo-7H-pyrro...)
Affinity DataIC50: 51nMAssay Description:Inhibition of human thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158423(N-[4-[(2-amino-6-mtehyl-3,4-dihydro-4-oxo-7H-pyrro...)
Affinity DataIC50: 5.10E+3nMAssay Description:Inhibition of Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158423(N-[4-[(2-amino-6-mtehyl-3,4-dihydro-4-oxo-7H-pyrro...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed