BDBM50252909 (3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluoro-4-hydroxymethyl pyrrolidin-3-ol::CHEMBL522870::Immucillins, 5

SMILES OC[C@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O

InChI Key InChIKey=VFUSATHXTREUCA-UHFFFAOYSA-N

Data  4 KI  2 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50252909   

TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50252909(Immucillins, 5 | CHEMBL522870 | (3R,4R)-1-((9-Deaz...)
Affinity DataKi:  1.82nMAssay Description:Inhibition of human purine nucleoside phosphorylase by xanthine-oxidase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50252909(Immucillins, 5 | CHEMBL522870 | (3R,4R)-1-((9-Deaz...)
Affinity DataKi:  18nMAssay Description:Inhibition of human purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPurine nucleoside phosphorylase(malaria parasite P. falciparum)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50252909(Immucillins, 5 | CHEMBL522870 | (3R,4R)-1-((9-Deaz...)
Affinity DataKi:  260nMAssay Description:Inhibition of Plasmodium falciparum purine nucleoside phosphorylase by xanthine-oxidase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPurine nucleoside phosphorylase(malaria parasite P. falciparum)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50252909(Immucillins, 5 | CHEMBL522870 | (3R,4R)-1-((9-Deaz...)
Affinity DataKi:  2.07E+3nMAssay Description:Inhibition of Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50252909   

CellPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

SyringePNGBDBM50252909(Immucillins, 5 | CHEMBL522870 | (3R,4R)-1-((9-Deaz...)
ITC DataΔG°: -12.0kcal/mole logk: 6.24E+8
pH: 7.4 T: 25.00°C 
In DepthDetails Article
PubMed
CellPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

SyringePNGBDBM50252909(Immucillins, 5 | CHEMBL522870 | (3R,4R)-1-((9-Deaz...)
ITC DataΔH°: -15.6kcal/mole
pH: 7.4 T: 27.00°C 
In DepthDetails Article
PubMed