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-KUBHLMPHSA-N

Data  14 KI  3 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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50195587   

TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataKi:  0.0560nMAssay Description:Inhibition of human PNP by xanthine-oxidase coupled assayMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataKi:  0.0560nMAssay Description:Inhbitory activity of compound against human purine nucleoside phosphorylase (PNP)More data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataKi:  0.0560nMAssay Description:Dissociation constant against Human Purine Nucleoside Phosphorylase was reportedMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
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
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataKi:  0.0579nMAssay Description:Equilibrium binding affinity to wild type human PNPMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(malaria parasite P. falciparum)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
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
TargetPurine nucleoside phosphorylase(malaria parasite P. falciparum)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
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
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataKi:  1.80nMAssay Description:Inhibition of human PNP activityMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataKi:  3.30nMAssay Description:Binding affinity towards Human Purine Nucleoside Phosphorylase was reportedMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataKi:  3.30nMAssay Description:Initial binding affinity to wild type human PNPMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataKi:  3.30nMAssay Description:Inhibition of human purine nucleoside phosphorylase; Initial rate.More data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(malaria parasite P. falciparum)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
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
TargetPurine nucleoside phosphorylase(Bovine)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
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
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataKi:  72nMAssay Description:Inhibition of human PNP assessed as inhibitor constant for enzyme-inhibitor-substrate complex formationMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataIC50:  100nMAssay Description:Inhibition of human purine nucleoside phosphorylaseMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataIC50:  3.5nMAssay Description:Inhibition of human PNP activityMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataKd:  0.0560nMAssay Description:Inhibition of human PNPMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Bovine)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
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
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataKd:  0.0580nMAssay Description:Binding affinity to human PNPMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Human)
Industrial Research

Curated by ChEMBL
LigandPNGBDBM50195587(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Affinity DataIC50:  0.0600nMAssay Description:Inhibition of human recombinant PNPMore data for this Ligand-Target Pair