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BDBM50113326 (4-Fluoro-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanone::CHEMBL78218

SMILES: Fc1ccc(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=IHYHXNKLWLTICM-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 = 50113326   
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))
BDBM50113326
PNG
((4-Fluoro-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-p...)
Show SMILES Fc1ccc(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21F2NO/c21-18-5-1-15(2-6-18)9-12-23-13-10-17(11-14-23)20(24)16-3-7-19(22)8-4-16/h1-8,17H,9-14H2
PDB
MMDB

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PubMed
9.54n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]-ketanserin as radiolig...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50113326
PNG
((4-Fluoro-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-p...)
Show SMILES Fc1ccc(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21F2NO/c21-18-5-1-15(2-6-18)9-12-23-13-10-17(11-14-23)20(24)16-3-7-19(22)8-4-16/h1-8,17H,9-14H2
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63n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on cell membranes from transfected cells selectively expressing human 5-hydroxytryptamine 7 receptor incubated with 1 nM [3H]-LSD


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50113326
PNG
((4-Fluoro-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-p...)
Show SMILES Fc1ccc(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21F2NO/c21-18-5-1-15(2-6-18)9-12-23-13-10-17(11-14-23)20(24)16-3-7-19(22)8-4-16/h1-8,17H,9-14H2
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453n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Binding affinity (Ki) at Dopamine receptor D2 using rat caudate cells with nemonapride (0.075 nM) as a radioligand and 10 M haloperidol as a blank ag...


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50113326
PNG
((4-Fluoro-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-p...)
Show SMILES Fc1ccc(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21F2NO/c21-18-5-1-15(2-6-18)9-12-23-13-10-17(11-14-23)20(24)16-3-7-19(22)8-4-16/h1-8,17H,9-14H2
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493n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on transfected cell membranes selectively expressing human 5-hydroxytryptamine 2C receptor using [3H]-mesulergine


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50113326
PNG
((4-Fluoro-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-p...)
Show SMILES Fc1ccc(CCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21F2NO/c21-18-5-1-15(2-6-18)9-12-23-13-10-17(11-14-23)20(24)16-3-7-19(22)8-4-16/h1-8,17H,9-14H2
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UniChem

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PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Tested on cell membranes from transfected cells selectively expressing human 5-hydroxytryptamine 6 receptor incubated with 1 nM [3H]-LSD


J Med Chem 45: 2319-24 (2002)


BindingDB Entry DOI: 10.7270/Q2B27TM2
More data for this
Ligand-Target Pair