BDBM50090330 (R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid {3-[4-cyano-4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide::CHEMBL291166

SMILES CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1

InChI Key InChIKey=PEDXQUUSXXYPJU-UHFFFAOYSA-N

Data  7 KI

  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 7 hits for monomerid = 50090330   

TargetAlpha-1A adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090330((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...)
Affinity DataKi:  1.90nMAssay Description:In vitro antagonism at Alpha-1A adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090330((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...)
Affinity DataKi:  355nMAssay Description:Selectivity screen against human Histamine H1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-1B adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090330((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...)
Affinity DataKi:  425nMAssay Description:In vitro antagonism at Alpha-1B adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-2B adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090330((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...)
Affinity DataKi:  776nMAssay Description:In vivo inhibitory effect against alpha-2b Adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-1D adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090330((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...)
Affinity DataKi:  880nMAssay Description:In vitro antagonism at Alpha-1D adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-2C adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090330((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...)
Affinity DataKi:  1.10E+3nMAssay Description:In vivo inhibitory effect against Alpha-2C adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090330((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...)
Affinity DataKi:  1.86E+3nMAssay Description:In vivo inhibitory effect against Alpha-2A adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed