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SMILES: Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4ccoc34)c2c1

InChI Key: InChIKey=XWCDDZAVVYXKCC-UHFFFAOYSA-N

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 = 50150080   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50150080
PNG
(CHEMBL340895 | [2-(5-Fluoro-benzofuran-7-yloxy)-et...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4ccoc34)c2c1
Show InChI InChI=1S/C21H20F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)2-1-6-24-7-9-26-20-12-17(23)10-14-5-8-27-21(14)20/h3-5,8,10-13,24-25H,1-2,6-7,9H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]-paroxetine


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50150080
PNG
(CHEMBL340895 | [2-(5-Fluoro-benzofuran-7-yloxy)-et...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4ccoc34)c2c1
Show InChI InChI=1S/C21H20F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)2-1-6-24-7-9-26-20-12-17(23)10-14-5-8-27-21(14)20/h3-5,8,10-13,24-25H,1-2,6-7,9H2
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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Article
PubMed
13n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 1A receptor in CHO cells labeled with [3H]-8-OH-DPAT radioligand


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50150080
PNG
(CHEMBL340895 | [2-(5-Fluoro-benzofuran-7-yloxy)-et...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4ccoc34)c2c1
Show InChI InChI=1S/C21H20F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)2-1-6-24-7-9-26-20-12-17(23)10-14-5-8-27-21(14)20/h3-5,8,10-13,24-25H,1-2,6-7,9H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition concentration against [3H]-5-HT uptake by human serotonin transporter in JAR cells


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50150080
PNG
(CHEMBL340895 | [2-(5-Fluoro-benzofuran-7-yloxy)-et...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4ccoc34)c2c1
Show InChI InChI=1S/C21H20F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)2-1-6-24-7-9-26-20-12-17(23)10-14-5-8-27-21(14)20/h3-5,8,10-13,24-25H,1-2,6-7,9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 107n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition concentration against binding of radioligand [35]GTPgammaS in CHO cells expressing 5-hydroxytryptamine 1A receptor


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50150080
PNG
(CHEMBL340895 | [2-(5-Fluoro-benzofuran-7-yloxy)-et...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4ccoc34)c2c1
Show InChI InChI=1S/C21H20F2N2O2/c22-16-3-4-19-18(11-16)15(13-25-19)2-1-6-24-7-9-26-20-12-17(23)10-14-5-8-27-21(14)20/h3-5,8,10-13,24-25H,1-2,6-7,9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 56n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration against binding of radioligand [35]GTPgammaS in CHO cells expressing human 5-hydroxytryptamine 1A receptor


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair