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BDBM50056944 4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-ethyl}-benzamide::CHEMBL368061

SMILES: Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12

InChI Key: InChIKey=POZFPYZCVYTCQZ-UHFFFAOYSA-N

Data: 16 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 17 hits for monomerid = 50056944   
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))
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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1.5n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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50n/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
Histamine H1 receptor


(RAT)
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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58n/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
Histamine H1 receptor


(RAT)
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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58n/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)
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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70n/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
DRD2


(BOVINE)
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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70n/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
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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190n/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
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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280n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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280n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]mesulergine binding to 5-hydroxytryptamine 1C receptor of pig choroid Plexus


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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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1.57E+3n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D3 in bovine 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
DRD1


(BOVINE)
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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2.06E+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
DRD1


(BOVINE)
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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2.06E+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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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2.61E+3n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D3 in bovine 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
Serotonin 3 receptor (5HT3)


(Mus musculus)
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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3.47E+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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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4.05E+3n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Inhibition of [3H]mesulergine binding to 5-hydroxytryptamine 1C receptor of pig choroid Plexus


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 1d (5-HT1d) receptor


(Sus scrofa)
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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9.77E+3n/an/an/an/an/an/an/an/a



Cooperation Pharmaceutique Fran�aise

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor using [3H]5-HT in pig striatum + frontalCortex


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))
BDBM50056944
PNG
(4-Fluoro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H28FN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
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n/an/a 1.45E+3n/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