BDBM22925 (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,6H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol::Covidarabine::Deoxycoformycin::Nipent::Pentostatin

SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12

InChI Key InChIKey=FPVKHBSQESCIEP-JQCXWYLXSA-N

Data  13 KI  1 IC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 22925   

TargetAdenosine deaminase(Bovine)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.00100nMAssay Description:Compound was tested for the inhibition of adenosine deaminase from calf intestine; Range of 0.01-0.001 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetAdenosine deaminase(Bovine)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.00100nMAssay Description:Binding affinity towards calf spleen adenosine deaminase was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetAdenosine deaminase(Bovine)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.00250nMAssay Description:Binding affinity (Ki) at calf intestinal adenosine deaminase.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetAdenosine deaminase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.00250nMAssay Description:The compound was tested in vitro for inhibition of human erythrocytic adenosine deaminase.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetAdenosine deaminase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.00300nMAssay Description:Binding affinity to human erythrocytic ADA assessed as inhibition constant by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank


TargetAdenosine deaminase(Bovine)
University of Camerino

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity against Adenosine deaminase from calf intestinal mucosa was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetAdenosine deaminase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.0260nMAssay Description:Inhibition of human erythrocytes ADA assessed as equilibrium dissociation constant by measuring reduction in formation of inosine using adenosine as ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetAdenosine deaminase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.0330nM ΔG°:  -14.1kcal/molepH: 7.4 T: 22°CAssay Description:The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetAdenosine deaminase(malaria parasite P. falciparum)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.0380nMAssay Description:Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged ADA expressed in Escherichia coli BL21 assessed as equilibrium dissocia...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine deaminase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.100nMAssay Description:Compound was evaluated for the inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetAdenosine deaminase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of human erythrocytes ADA assessed as reduction in formation of inosine using adenosine as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetAdenosine deaminase(malaria parasite P. falciparum)
University of Montpellier

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  8.20nMAssay Description:Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged ADA expressed in Escherichia coli BL21 assessed as reduction in formati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine deaminase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataKi:  1.19E+5nMAssay Description:Inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM22925((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed