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BDBM50004337 (4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-yl]-methanone::(4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-yl]-methanone; hydrogen oxalate salt::CHEMBL1788135::CHEMBL19259

SMILES: Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1

InChI Key: InChIKey=FTJXZACAQRDRNT-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50004337   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50004337
PNG
((4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C22H26FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20H,4-5,8,13-17H2
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PubMed
5.30n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor


J Med Chem 44: 477-501 (2001)


BindingDB Entry DOI: 10.7270/Q24Q7VQH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50004337
PNG
((4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C22H26FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20H,4-5,8,13-17H2
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PubMed
5.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor


J Med Chem 38: 1196-202 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ37TG
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004337
PNG
((4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C22H26FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20H,4-5,8,13-17H2
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5.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand


J Med Chem 35: 4903-10 (1993)


BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50004337
PNG
((4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C22H26FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20H,4-5,8,13-17H2
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PubMed
620n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1C receptor in rat using [3H]mesulergine as radioligand


J Med Chem 35: 4903-10 (1993)


BindingDB Entry DOI: 10.7270/Q26T0N86
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50004337
PNG
((4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C22H26FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20H,4-5,8,13-17H2
KEGG

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DrugBank
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PC cid
PC sid
UniChem

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PubMed
620n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor


J Med Chem 38: 1196-202 (1995)


BindingDB Entry DOI: 10.7270/Q2CZ37TG
More data for this
Ligand-Target Pair