BDBM50172119 2-[1-(4-Bromo-benzenesulfonyl)-1,2,3,6-tetrahydro-pyridin-4-ylethynyl]-pyridine::CHEMBL197724

SMILES Brc1ccc(cc1)S(=O)(=O)N1CCC(=CC1)C#Cc1ccccn1

InChI Key InChIKey=HMEVLPUHGYITTB-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 = 50172119   

TargetMetabotropic glutamate receptor 5(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50172119(2-[1-(4-Bromo-benzenesulfonyl)-1,2,3,6-tetrahydro-...)
Affinity DataIC50: 2.20nMAssay 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
LigandPNGBDBM50172119(2-[1-(4-Bromo-benzenesulfonyl)-1,2,3,6-tetrahydro-...)
Affinity DataKi:  3.10nMAssay 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
LigandPNGBDBM50172119(2-[1-(4-Bromo-benzenesulfonyl)-1,2,3,6-tetrahydro-...)
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