BindingDB logo
myBDB logout

BDBM50267557 4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmethoxyphenylethyl)-piperidine::CHEMBL489408

SMILES: COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1

InChI Key: InChIKey=GWHHZSAHAOWCRM-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50267557   
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))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
153n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
991n/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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.44E+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 5HT1D 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))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.97E+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 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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.86E+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 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.42E+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 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 6


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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 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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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 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
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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 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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50267557
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmet...)
Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
Show InChI InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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 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