BDBM50028110 2-[4-({2-Amino-5-[1-(4-hydroxy-5-hydroxymethyl-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::CHEMBL3144214::CID44292781::thvmidvlate svnthase inhibitor 2a

SMILES Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)N(Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)[nH]c3=O)c2c(=O)[nH]1

InChI Key InChIKey=OLEBSHVMLIFDHT-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 = 50028110   

TargetThymidylate synthase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50028110(2-[4-({2-Amino-5-[1-(4-hydroxy-5-hydroxymethyl-tet...)
Affinity DataKi:  1.50E+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
LigandPNGBDBM50028110(2-[4-({2-Amino-5-[1-(4-hydroxy-5-hydroxymethyl-tet...)
Affinity DataKi:  2.40E+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