BDBM50022735 2-[4-(2-{(2-Amino-4-methyl-6-oxo-1,6-dihydro-pyrimidin-5-yl)-[1-(4-hydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl]-amino}-ethylamino)-benzoylamino]-pentanedioic acid::CHEMBL2368782::thvmidvlate svnthase inhibitor 3a

SMILES Cc1nc(N)nc(O)c1N(CCNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O

InChI Key InChIKey=WJMIBUYERCQKCS-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 = 50022735   

TargetThymidylate synthase(Human)
University of Utah

Curated by ChEMBL
LigandPNGBDBM50022735(thvmidvlate svnthase inhibitor 3a | 2-[4-(2-{(2-Am...)
Affinity DataIC50: 1.18E+3nMAssay Description:Competitive inhibition of the human thymidylate synthase at 28 uM of [dUMP]More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
University of Utah

Curated by ChEMBL
LigandPNGBDBM50022735(thvmidvlate svnthase inhibitor 3a | 2-[4-(2-{(2-Am...)
Affinity DataIC50: 7.30E+3nMAssay Description:Inhibition of human thymidylate synthase at 600 uM concentration of 5,10-CH2-H4PteGluMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2012
Entry Details Article
PubMed