BDBM50195587 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL::7-((2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one::CHEMBL1213652::CHEMBL218291::Immucillin-H

SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O

InChI Key InChIKey=IWKXDMQDITUYRK-UHFFFAOYSA-N

Data  14 KI  6 IC50  3 Kd

PDB links: 21 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50195587   

TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKd:  0.0580nMAssay Description:Binding affinity to human PNPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(malaria parasite P. falciparum)
The Czech Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataIC50: 103nMAssay Description:Inhibition of recombinant Plasmodium falciparum PNP incubated for 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
The Czech Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataIC50: 42nMAssay Description:Inhibition of Mycobacterium tuberculosis recombinant PNP incubated for 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataIC50: 57nMAssay Description:Inhibition of human recombinant PNP expressed in Escherichia coli incubated for 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataIC50: 0.0600nMAssay Description:Inhibition of human recombinant PNPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataIC50: 100nMAssay Description:Inhibition of human purine nucleoside phosphorylaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataIC50: 3.5nMAssay Description:Inhibition of human PNP activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Bovine)
University of Warsaw

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKd:  0.0230nMAssay Description:Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKd:  0.0560nMAssay Description:Inhibition of human PNPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  0.0560nMAssay Description:Inhibitory activity of compound against human purine nucleoside phosphorylase (PNP)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  0.0560nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  0.0560nMAssay Description:Equilibrium dissociation constant determined against human purine nucleoside phosphorylase (PNP) after slow-onset inhibitionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  0.0560nMAssay Description:Dissociation constant against Human Purine Nucleoside Phosphorylase was reportedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  0.0579nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(malaria parasite P. falciparum)
The Czech Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor-substrate complex formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(malaria parasite P. falciparum)
The Czech Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  0.860nMAssay Description:Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  1.80nMAssay Description:Inhibition of human PNP activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  3.30nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  3.30nMAssay Description:Binding affinity towards Human Purine Nucleoside Phosphorylase was reportedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  3.30nMAssay Description:Inhibition of human purine nucleoside phosphorylase; Initial rate.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(malaria parasite P. falciparum)
The Czech Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  29nMAssay Description:Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor complex formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Bovine)
University of Warsaw

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  41nMAssay Description:Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 50 mM inor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50195587(CHEMBL218291 | CHEMBL1213652 | 1,4-DIDEOXY-4-AZA-1...)
Affinity DataKi:  72nMAssay Description:Inhibition of human PNP assessed as inhibitor constant for enzyme-inhibitor-substrate complex formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)