BDBM50172129 4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester::CHEMBL196574

SMILES CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc1ccccn1

InChI Key InChIKey=IOIBVLAFLPJENL-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 50172129   

TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50172129(4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...)
Affinity DataKi:  20nMAssay 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 DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50172129(4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...)
Affinity DataIC50:  2.60nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50172129(4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibitory concentration against CYP1A2 using recombinant CYP450 under Gentest-based protocolMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed