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BDBM50056946 1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-butan-1-one::CHEMBL366388

SMILES: Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12

InChI Key: InChIKey=JGHINESLHSSDOZ-UHFFFAOYSA-N

Data: 7 KI  1 IC50

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 8 hits for monomerid = 50056946   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056946
PNG
(1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-napht...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
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17n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampal membranes


J Med Chem 40: 952-60 (1997)


Article DOI: 10.1021/jm950759z
BindingDB Entry DOI: 10.7270/Q2HT2Q00
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50056946
PNG
(1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-napht...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
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18n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in bovine frontal cortex


J Med Chem 40: 952-60 (1997)


Article DOI: 10.1021/jm950759z
BindingDB Entry DOI: 10.7270/Q2HT2Q00
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50056946
PNG
(1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-napht...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
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30n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to sigma receptor in rat hippocampus


J Med Chem 40: 952-60 (1997)


Article DOI: 10.1021/jm950759z
BindingDB Entry DOI: 10.7270/Q2HT2Q00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50056946
PNG
(1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-napht...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
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42n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]pyrilamine binding to Histamine H1 receptor in rat cortex


J Med Chem 40: 952-60 (1997)


Article DOI: 10.1021/jm950759z
BindingDB Entry DOI: 10.7270/Q2HT2Q00
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50056946
PNG
(1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-napht...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
110n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]raclopride binding to Dopamine receptor D2 of bovine striatum


J Med Chem 40: 952-60 (1997)


Article DOI: 10.1021/jm950759z
BindingDB Entry DOI: 10.7270/Q2HT2Q00
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM50056946
PNG
(1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-napht...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
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1.00E+3n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]SCH-23390 binding to Dopamine receptor D1 of bovine striatum


J Med Chem 40: 952-60 (1997)


Article DOI: 10.1021/jm950759z
BindingDB Entry DOI: 10.7270/Q2HT2Q00
More data for this
Ligand-Target Pair
Serotonin 3 receptor (5HT3)


(Mus musculus)
BDBM50056946
PNG
(1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-napht...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
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3.16E+3n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]BRL-43694 binding to 5-hydroxytryptamine 3 receptor in NG cells 108-15


J Med Chem 40: 952-60 (1997)


Article DOI: 10.1021/jm950759z
BindingDB Entry DOI: 10.7270/Q2HT2Q00
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056946
PNG
(1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-napht...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
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n/an/a 210n/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of forskolin-activated adenylate cyclase (cAMP) activity at 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 40: 952-60 (1997)


Article DOI: 10.1021/jm950759z
BindingDB Entry DOI: 10.7270/Q2HT2Q00
More data for this
Ligand-Target Pair