BDBM50296487 (11R,12R)-12-azaniumyl-11-(2,4,5-trifluorophenyl)-1,6,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8-tetraen-6-ium; bis(2,2,2-trifluoroacetate)::CHEMBL562388

SMILES [NH3+][C@H]1C[n+]2c(C[C@@H]1c1cc(F)c(F)cc1F)[nH]c1ncccc21

InChI Key InChIKey=NHGUKFQZOSMDEJ-UHFFFAOYSA-P

Data  7 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 7 hits for monomerid = 50296487   

LigandPNGBDBM50296487((11R,12R)-12-azaniumyl-11-(2,4,5-trifluorophenyl)-...)
Affinity DataIC50: 9.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50296487((11R,12R)-12-azaniumyl-11-(2,4,5-trifluorophenyl)-...)
Affinity DataIC50: 24nMAssay Description:Inhibition of human endogenous DPP4 in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50296487((11R,12R)-12-azaniumyl-11-(2,4,5-trifluorophenyl)-...)
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50296487((11R,12R)-12-azaniumyl-11-(2,4,5-trifluorophenyl)-...)
Affinity DataIC50: 15nMAssay Description:Inhibition of human recombinant DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50296487((11R,12R)-12-azaniumyl-11-(2,4,5-trifluorophenyl)-...)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of human recombinant QPP transfected in insect SF9 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 8(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50296487((11R,12R)-12-azaniumyl-11-(2,4,5-trifluorophenyl)-...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human DPP8 expressed in baculovirus by continuous fluorescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 9(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50296487((11R,12R)-12-azaniumyl-11-(2,4,5-trifluorophenyl)-...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human DPP9 expressed in baculovirus by continuous fluorescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed