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BDBM50267554 4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-toluylethyl)-piperidine::CHEMBL490632

SMILES: COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1

InChI Key: InChIKey=PPXOTGGYVKBLCQ-UHFFFAOYSA-N

Data: 20 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 20 hits for monomerid = 50267554   
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


(Rattus norvegicus (rat))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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4.56n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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154n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned alpha2C adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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497n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5-HT2C receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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559n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT2B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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665n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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731n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT7 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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827n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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923n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D4 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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1.01E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned SERT by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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1.68E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT5A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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1.88E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1A receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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1.93E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D1 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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2.01E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned mu opioid receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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3.36E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1B receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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9.03E+3n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT6 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned beta3 adrenergic receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT1E receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned dopamine D2 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned 5HT3 receptor by competitive binding experiment


Bioorg Med Chem 17: 2989-3002 (2009)


Article DOI: 10.1016/j.bmc.2009.03.021
BindingDB Entry DOI: 10.7270/Q21V5DW2
More data for this
Ligand-Target Pair