BDBM50028109 2-{4-[(2-Amino-5-{1-[4-hydroxy-5-(hydroxy-methoxy-phosphoryloxymethyl)-tetrahydro-furan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl}-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL3144213::CID44292651::thvmidvlate svnthase inhibitor 2c

SMILES COP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(CN2C(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CCc3nc(N)[nH]c(=O)c23)c(=O)[nH]c1=O

InChI Key InChIKey=YYLMJAXJQNLSCC-UHFFFAOYSA-N

Data  2 KI

  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 = 50028109   

TargetThymidylate synthase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50028109(2-{4-[(2-Amino-5-{1-[4-hydroxy-5-(hydroxy-methoxy-...)
Affinity DataKi:  1.20E+5nMAssay Description:Inhibitory activity against human thymidylate synthase with variable concentration of dUMP and fixed N5,10-CH2-H4PteGlu (200 uM)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50028109(2-{4-[(2-Amino-5-{1-[4-hydroxy-5-(hydroxy-methoxy-...)
Affinity DataKi:  7.00E+5nMAssay Description:Inhibitory activity against human thymidylate synthase with variable concentration of dUMP and fixed N5,10-CH2-H4PteGlu (200 uM)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2012
Entry Details Article
PubMed