BDBM50070038 CHEMBL3407814

SMILES C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1

InChI Key InChIKey=XOWPXRYZDHLBEA-UHFFFAOYSA-N

Data  4 KI  1 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 = 50070038   

TargetCytochrome P450 3A4(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50070038(CHEMBL3407814)
Affinity DataIC50: 7.00E+4nMAssay Description:Inhibition of human CYP3A4 using 7-benzyloxy-4-(trifluoromethyl)coumarin as substrate assessed as formation of 7-hydroxy-4-trifluoromethylcoumarin in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed
TargetNitric oxide synthase, brain(Rat)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50070038(CHEMBL3407814)
Affinity DataKi:  54nMAssay Description:Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50070038(CHEMBL3407814)
Affinity DataKi:  125nMAssay Description:Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50070038(CHEMBL3407814)
Affinity DataKi:  1.80E+3nMAssay Description:Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50070038(CHEMBL3407814)
Affinity DataKi:  1.09E+4nMAssay Description:Binding affinity to recombinant bovine endothelial NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed