BDBM50028107 2-{4-[(2-Amino-5-{1-[5-(dihydroxy-phosphanyloxymethyl)-4-hydroxy-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::CHEMBL3144212::CID44292649::thvmidvlate svnthase inhibitor 2b

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

InChI Key InChIKey=AVBVEIYIFNLPJJ-UHFFFAOYSA-L

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 = 50028107   

TargetThymidylate synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50028107(2-{4-[(2-Amino-5-{1-[5-(dihydroxy-phosphanyloxymet...)
Affinity DataKi:  58nMAssay 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 DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50028107(2-{4-[(2-Amino-5-{1-[5-(dihydroxy-phosphanyloxymet...)
Affinity DataKi:  250nMAssay 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 DepthDetails ArticlePubMed