BDBM50022736 2-[4-({2-Amino-5-[1-(4-hydroxy-5-phosphonooxymethyl-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::2-{[4-({[2-amino-4-hydroxy-5-({1-[(2R,4R,5R)-4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}methyl)-5H,6H,7H,8H-pyrido[3,2-d]pyrimidin-6-yl]methyl}amino)phenyl]formamido}pentanedioate::CHEMBL2368783::thvmidvlate svnthase inhibitor 2

SMILES Nc1nc(O)c2N(Cc3cn([C@H]4C[C@H](O)[C@@H](COP(O)(O)=O)O4)c(=O)[nH]c3=O)C(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CCc2n1

InChI Key InChIKey=SCFXNVIWVSBPLO-WMGAJAHGSA-N

Data  2 KI  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 4 hits for monomerid = 50022736   

TargetThymidylate synthase(Homo sapiens (Human))
University Of Utah

Curated by ChEMBL
LigandPNGBDBM50022736(2-[4-({2-Amino-5-[1-(4-hydroxy-5-phosphonooxymethy...)
Affinity DataKi:  27nMAssay Description:Inhibition of human thymidylate synthase at 600 uM concentration of 5,10-CH2-H4PteGluMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
University Of Utah

Curated by ChEMBL
LigandPNGBDBM50022736(2-[4-({2-Amino-5-[1-(4-hydroxy-5-phosphonooxymethy...)
Affinity DataKi:  85nMAssay Description:Competitive inhibition of the human thymidylate synthase at 600 uM of [dUMP]More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
University Of Utah

Curated by ChEMBL
LigandPNGBDBM50022736(2-[4-({2-Amino-5-[1-(4-hydroxy-5-phosphonooxymethy...)
Affinity DataIC50:  200nMAssay Description:Inhibition of human thymidylate synthase at 40 uM concentration of 5,10-CH2-H4PteGlu5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
University Of Utah

Curated by ChEMBL
LigandPNGBDBM50022736(2-[4-({2-Amino-5-[1-(4-hydroxy-5-phosphonooxymethy...)
Affinity DataIC50:  390nMAssay Description:Competitive inhibition of the human thymidylate synthase at 600 uM as Ki(slope) of 5,10-CH2-H4PteGluMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed