BDBM50335527 (2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4-aminobut-2-enyl)(methyl)amino)methyl)-4-fluorotetrahydrofuran-3-ol::(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-(((-4-aminobut-2-enyl)(methyl)amino)methyl)-4-fluorotetrahydrofuran-3-ol::CHEMBL443705

SMILES CN(C\C=C/CN)C[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key InChIKey=NPGZZLCILZSYOC-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50335527   

TargetCytochrome P450 3A4(Human)
Genzyme

Curated by ChEMBL
LigandPNGBDBM50335527((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)
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
LigandPNGBDBM50335527((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)
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
LigandPNGBDBM50335527((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)
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
LigandPNGBDBM50335527((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)
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
LigandPNGBDBM50335527((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-2-((((Z)-4...)
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