BDBM50000300 (2R,3R,4S,5R)-2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(2R,3R,4S,5R)-2-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol (Br-Tub)::2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(5-Bromotubercidin)::CHEMBL62099

SMILES c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Br

InChI Key InChIKey=ZWTPRQXZXQEKFT-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50000300   

TargetAdenosine kinase(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50000300(2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5...)
Affinity DataIC50: 120nMAssay Description:Inhibition of recombinant human adenosine kinaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine kinase(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50000300(2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5...)
Affinity DataIC50: 120nMAssay Description:Inhibition of human adenosine kinase activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine kinase(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50000300(2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5...)
Affinity DataIC50: 120nMAssay Description:Concentration required for 50% inhibition of the adenosine kinase (AK) activity.More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetAdenosine kinase(Human)
Metabasis Therapeutics

Curated by ChEMBL
LigandPNGBDBM50000300(2-(4-Amino-5-bromo-pyrrolo[2,3-d]pyrimidin-7-yl)-5...)
Affinity DataIC50: 1.20E+8nMAssay Description:Inhibition of adenosine kinase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article