BDBM50246593 7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one::7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one::CHEMBL505564::Immucillins, 4

SMILES OCC(CO)NCc1c[nH]c2c1nc[nH]c2=O

InChI Key InChIKey=YGATXRRSBPFSBK-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50246593   

TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50246593(Immucillins, 4 | 7-({[2-hydroxy-1-(hydroxymethyl)e...)
Affinity DataKi:  0.00500nMAssay Description:Inhibition of human PNP by xanthine-oxidase coupled assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2012
Entry Details Article
PubMed
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50246593(Immucillins, 4 | 7-({[2-hydroxy-1-(hydroxymethyl)e...)
Affinity DataKi:  0.00520nMAssay Description:Equilibrium binding affinity to wild type human PNPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50246593(Immucillins, 4 | 7-({[2-hydroxy-1-(hydroxymethyl)e...)
Affinity DataKi:  0.110nMAssay Description:Initial binding affinity to wild type human PNPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50246593   

CellPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

SyringePNGBDBM50246593(Immucillins, 4 | 7-({[2-hydroxy-1-(hydroxymethyl)e...)
ITC DataΔG°: -15.5kcal/mole
pH: 7.4 T: 25.00°C 
In DepthDetails Article
PubMed
CellPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

SyringePNGBDBM50246593(Immucillins, 4 | 7-({[2-hydroxy-1-(hydroxymethyl)e...)
ITC DataΔH°: -20.2kcal/mole
pH: 7.4 T: 27.00°C 
In DepthDetails Article
PubMed