BDBM22109 7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one::7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-1H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one::CHEMBL1213653::CHEMBL269864::DADMe-ImmH,7

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

InChI Key InChIKey=AFNHHLILYQEHKK-BDAKNGLRSA-N

Data  15 KI  1 Kd

PDB links: 7 PDB IDs match this monomer.

  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 16 hits for monomerid = 22109   

TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  0.00900nMAssay Description:Inhibition of human PNP by xanthine-oxidase coupled assayMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  0.0107nMAssay Description:Equilibrium binding affinity to wild type human PNPMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  0.0110nMAssay Description:Inhibition of human purine nucleoside phosphorylase by xanthine-oxidase coupled assayMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of human His-tagged PNP assessed as equilibrium dissociation constant by measuring reduction in uric acid formation by spectrophotometric ...More data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  0.0160nMAssay Description:Dissociation constant against Human Purine Nucleoside Phosphorylase was reportedMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Plasmodium falciparum)
Universit£

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of Plasmodium falciparum His-tagged PNP expressed in Escherichia coli assessed as inhibitor constant for enzyme-inhibitor complex formatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPurine nucleoside phosphorylase(Plasmodium falciparum)
Universit£

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  0.5nM ΔG°:  -12.6kcal/molepH: 7.7 T: 2°CAssay Description:PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPurine nucleoside phosphorylase(Plasmodium falciparum)
Universit£

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  0.5nMAssay 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 DepthDetails ArticlePubMed
TargetPurine nucleoside phosphorylase(Bos taurus (bovine))
Industrial Research

LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  1nM ΔG°:  -12.1kcal/molepH: 7.7 T: 2°CAssay Description:PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...More data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  1.10nMAssay Description:Binding affinity towards Human Purine Nucleoside Phosphorylase was reportedMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of human purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assayMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of human PNPMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of human His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor complex formation by measuring reduction in uric acid formatio...More data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  1.10nM ΔG°:  -12.1kcal/molepH: 7.7 T: 2°CAssay Description:PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...More data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKi:  1.10nMAssay Description:Initial binding affinity to wild type human PNPMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research

Curated by ChEMBL
LigandPNGBDBM22109(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...)
Affinity DataKd:  0.00850nMAssay Description:Binding affinity to human PNPMore data for this Ligand-Target Pair