BDBM50335528 (2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-((((Z)-4-aminobut-2-enyl)(methyl)amino)methyl)tetrahydrofuran-3,4-diol::(2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(((4-aminobut-2-enyl)(methyl)amino)methyl)tetrahydrofuran-3,4-diol::CHEMBL468092

SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12

InChI Key InChIKey=DVPZNDPOWUEVAP-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 50335528   

TargetCytochrome P450 3A4(Human)
Genzyme

Curated by ChEMBL
LigandPNGBDBM50335528((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Genzyme

Curated by ChEMBL
LigandPNGBDBM50335528((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human cytochrome P450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Genzyme

Curated by ChEMBL
LigandPNGBDBM50335528((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human cytochrome P450 2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Genzyme

Curated by ChEMBL
LigandPNGBDBM50335528((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human cytochrome P450 2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Genzyme

Curated by ChEMBL
LigandPNGBDBM50335528((2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human cytochrome P450 1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMed