BDBM50014479 (S)-2-(4-(((4-oxo-2-((pyrimidin-2-ylthio)methyl)-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid::2-(4-{[4-Oxo-2-(pyrimidin-2-ylsulfanylmethyl)-3,4-dihydro-quinazolin-6-ylmethyl]-prop-2-ynyl-amino}-benzoylamino)-pentanedioic acid::CHEMBL317901

SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(CSc3ncccn3)[nH]c(=O)c2c1)C(O)=O

InChI Key InChIKey=OVXKHJKTKXTYPF-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 = 50014479   

TargetThymidylate synthase(Mouse)
Ici Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50014479(CHEMBL317901 | 2-(4-{[4-Oxo-2-(pyrimidin-2-ylsulfa...)
Affinity DataIC50: 240nMAssay Description:Binding affinity against Thymidylate synthase was measured in vitroMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Meerut Institute of Engineering and Technology

Curated by ChEMBL
LigandPNGBDBM50014479(CHEMBL317901 | 2-(4-{[4-Oxo-2-(pyrimidin-2-ylsulfa...)
Affinity DataIC50: 240nMAssay Description:Inhibition of thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed