BDBM50002238 (R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol::(S)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol::1-(4-Fluoro-phenyl)-1-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol(BMY-14802)::1-(4-Fluoro-phenyl)-4-[4-(4-fluoro-phenyl)-piperazin-1-yl]-butan-1-ol::1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol::1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol(BMY-14802)::1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)butan-1-ol::4-{4-[5-Fluoro-2-(4-fluoro-phenyl)-2H-pyrimidin-1-yl]-piperazin-1-yl}-butan-1-ol::4-{4-[5-Fluoro-2-(4-fluoro-phenyl)-2H-pyrimidin-1-yl]-piperazin-1-yl}-butan-1-ol(BMY 14802)::BMY-14802::CHEMBL60859

SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1

InChI Key InChIKey=ZXUYYZPJUGQHLQ-UHFFFAOYSA-N

Data  10 KI  27 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50002238   

TargetBeta-1/Beta-2/Beta-3 adrenergic receptor(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory concentration against radioligand [3H]dihydroalprenolol binding to Beta adrenergic receptor in rat cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 8.40E+3nMAssay Description:Binding affinity towards Dopamine receptor D2 binding site using [3H]spiroperidol.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 60nMAssay Description:Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 830nMAssay Description:Binding affinity towards 5-hydroxytryptamine 2A receptor binding site using [3H]ketanserin. More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 320nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor binding site using [3H]8-OH-DPAT. More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 60nMAssay Description:Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 158nMAssay Description:Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2012
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory concentration against radioligand [3H](-)-sulpiride binding to Dopamine receptor D2 in ratMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2012
Entry Details Article
PubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 460nMAssay Description:Inhibitory concentration against radioligand [3H]-WB- 4101 binding to rat cortical Alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 112nMAssay Description:Inhibitory concentration against radioligand [3H]3-PPP binding to haloperidol-sensitive sigma binding site in whole guinea pig brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 520nMAssay Description:Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitroMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit gamma-1(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of [3H]muscimol binding to GABA-A of rat cerebellumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory concentration against radioligand [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetSerotonin 2 (5-HT2) receptor(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibitory concentration against radioligand [3H]spiperone binding to 5-hydroxytryptamine 2 receptor in rat cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetD(1A) dopamine receptor(Rat)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory concentration against radioligand [3H]-SCH- 23390 binding to Dopamine receptor D1 receptors in rat striatumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 83nMAssay Description:Inhibitory concentration against radioligand [3H](+)-NAN binding to haloperidol-sensitive sigma binding site in whole guinea pig brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 120nMAssay Description:Inhibition of specific binding of [3H]DTG to sigma receptor in Guinea pig brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 112nMAssay Description:Displacement of (+)-[3H]-3-PPP from rat cortical sigma siteMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 320nMAssay Description:Inhibitory concentration against radioligand [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 230nMAssay Description:Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Mouse)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 2.43E+3nMAssay Description:The compound was tested in vitro for its binding affinity towards Dopamine receptor D2More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 4.90E+3nMAssay Description:Binding affinity against the Dopamine receptor D2 in rat striatum by using [3H]spiperone radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article

TargetSigma non-opioid intracellular receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 71nMAssay Description:Inhibition of specific binding of [125I]PIPAG to sigma receptor in Guinea pig brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 112nMAssay Description:In vitro binding affinity towards sigma receptor by the displacement of [3H]PPP from guinea pig brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article

Target5-hydroxytryptamine receptor 2A(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 1.70E+3nMAssay Description:In vitro binding affinity towards serotonin 5-HT2A receptor by the displacement of [3H]spiperone from rat cortical membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article

TargetD(2) dopamine receptor(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 6.43E+3nMAssay Description:Inhibitory concentration against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataIC50: 320nMAssay Description:In vitro binding affinity towards serotonin 5-HT1A receptor by the displacement of [3H]8-OH-DPAT from rat hippocampusMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article

TargetSigma non-opioid intracellular receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataKi:  71nMAssay Description:Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article

TargetSigma non-opioid intracellular receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataKi:  164nMAssay Description:Binding affinity for Sigma opioid receptor type 2 in guinea pig brain homogenate with 4 nM [3H]-(+)-DTGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article

TargetSigma non-opioid intracellular receptor 1(Mouse)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataKi:  174nMAssay Description:In vitro binding affinity for the mouse sigma opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Institut FüR Pharmazeutische Und Medizinische Chemie

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataKi:  265nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by liquid scintillation analyzerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataKi:  265nMAssay Description:Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-pentazocine as radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataKi:  265nMAssay Description:Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataKi:  265nMAssay Description:Binding affinity for Sigma opioid receptor type 1 in guinea pig brain homogenate with 0.5 nM [3H](+)-PENTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article

TargetSigma non-opioid intracellular receptor 1(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataKi:  391nMAssay Description:Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liverMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Rat)
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataKi:  391nMAssay Description:Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A/2B/2C(Mouse)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50002238(1-(4-fluorophenyl)-4-(4-(5-fluoropyrimidin-2-yl)pi...)
Affinity DataKi:  410nMAssay Description:In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptorsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed