BDBM50090335 (R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid {3-[4-cyano-4-(2-cyano-4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide::CHEMBL42335

SMILES CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N

InChI Key InChIKey=KAXNWVHHUKHNDK-UHFFFAOYSA-N

Data  7 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50090335   

TargetAlpha-1A adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090335((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...)
Affinity DataKi:  1.40nMAssay 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
LigandPNGBDBM50090335((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...)
Affinity DataKi:  91nMAssay 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-2B adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090335((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...)
Affinity DataKi:  676nMAssay 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-1B adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090335((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...)
Affinity DataKi: >2.00E+3nMAssay 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-2C adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090335((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...)
Affinity DataKi:  4.68E+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-1D adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090335((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...)
Affinity DataKi: >5.00E+3nMAssay 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-2A adrenergic receptor(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50090335((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...)
Affinity DataKi:  7.85E+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