BDBM50172124 2-[3-(Naphthalen-2-ylsulfanyl)-cyclohex-1-enylethynyl]-pyridine::CHEMBL196343

SMILES C1CC(Sc2ccc3ccccc3c2)C=C(C1)C#Cc1ccccn1

InChI Key InChIKey=TYYBKQGONXRWMK-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 = 50172124   

TargetMetabotropic glutamate receptor 5(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50172124(2-[3-(Naphthalen-2-ylsulfanyl)-cyclohex-1-enylethy...)
Affinity DataKi:  75nMAssay 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
TargetMetabotropic glutamate receptor 5(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50172124(2-[3-(Naphthalen-2-ylsulfanyl)-cyclohex-1-enylethy...)
Affinity DataIC50: 213nMAssay 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
TargetCytochrome P450 1A2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50172124(2-[3-(Naphthalen-2-ylsulfanyl)-cyclohex-1-enylethy...)
Affinity DataIC50: 5.31E+3nMAssay 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