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BDBM50143674 8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione::CHEMBL299691

SMILES: Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1

InChI Key: InChIKey=CYDFRMLIERPUGG-UHFFFAOYSA-N

Data: 10 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50143674   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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Article
PubMed
0.830n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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PubMed
0.910n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to the adrenergic receptor alpha-1D of rat aorta


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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PubMed
5.20n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D3


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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PubMed
7.5n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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PubMed
32.6n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]-8-OH-DPAT) as radioli...


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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PubMed
62.6n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity constant against alpha-1B adrenergic receptor of guinea pig spleen


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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Article
PubMed
67n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1B adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
PDB

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Article
PubMed
140n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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Article
PubMed
630n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor through displacement of [3H]-prazosin in epididymal rat vas deferens.


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair