BDBM50156458 3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-carbonyl]-5-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-benzoic acid::CHEMBL188068

SMILES NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cc(cc(c1)-c1nc(no1)-c1cccs1)C(O)=O

InChI Key InChIKey=DXIKBSYTPKPXJG-UHFFFAOYSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50156458   

TargetCytochrome P450 2C9(Human)
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50156458(3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory activity against cytochrome P450 determined using human liver microsome upon 15 min incubation with probes substrates Tolbutamide (2C9)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50156458(3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-...)
Affinity DataIC50: 7.68E+4nMAssay Description:Inhibitory activity against human Potassium channel HERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50156458(3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory activity against cytochrome P450 determined using human liver microsome upon 15 min incubation with probes substrates s-mephenytoin (2C19)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetTryptase beta-2(Human)
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50156458(3-[4-(5-Aminomethyl-2-fluoro-phenyl)-piperidine-1-...)
Affinity DataKi:  88nMAssay Description:Inhibitory activity against human mast cell tryptase betaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed