BDBM50172125 CHEMBL194407::Pyridin-3-yl-(4-pyridin-2-ylethynyl-cyclohex-3-enyl)-amine

SMILES C1CC(=CCC1Nc1cccnc1)C#Cc1ccccn1

InChI Key InChIKey=BARKOPROXAJBFB-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 50172125   

TargetMetabotropic glutamate receptor 5(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50172125(Pyridin-3-yl-(4-pyridin-2-ylethynyl-cyclohex-3-eny...)
Affinity DataIC50: 12.6nMAssay Description:In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dyeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMetabotropic glutamate receptor 5(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50172125(Pyridin-3-yl-(4-pyridin-2-ylethynyl-cyclohex-3-eny...)
Affinity DataKi:  35nMAssay Description:Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50172125(Pyridin-3-yl-(4-pyridin-2-ylethynyl-cyclohex-3-eny...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibitory concentration against CYP1A2 using recombinant CYP450 under Gentest-based protocolMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed