BDBM50484528 CHEMBL1928285

SMILES CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C

InChI Key InChIKey=LXHMIPYFQUZUMS-UHFFFAOYSA-N

Data  2 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50484528   

Target2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase(Escherichia coli (strain K12))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50484528(CHEMBL1928285)
Affinity DataKd:  2.55E+3nMAssay Description:Binding affinity to Escherichia coli HPPKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase(Escherichia coli (strain K12))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50484528(CHEMBL1928285)
Affinity DataIC50: 3.16E+3nMAssay Description:Inhibition of Escherichia coli HPPK using [alpha-33P]ATP after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase(Escherichia coli (strain K12))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50484528(CHEMBL1928285)
Affinity DataKd:  2.55E+3nMAssay Description:Binding affinity to Escherichia coli HPPK using 6-hydroxymethyl-7,8-dihydropterin as substrate and ATP by fluorometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase(Escherichia coli (strain K12))
National Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50484528(CHEMBL1928285)
Affinity DataIC50: 3.16E+3nMAssay Description:Inhibition of Escherichia coli HPPK using 6-hydroxymethyl-7,8-dihydropterin as substrate and [32P]-ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)