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SMILES: COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1

InChI Key: InChIKey=WUIQAMHNESRRCX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50102400   
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 1A


(Rattus norvegicus (rat))
BDBM50102400
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(4-fluoro-2-methoxy...)
Show SMILES COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H23FN2O2S/c1-27-21-14-16(23)6-7-19(21)25-12-10-24(11-13-25)9-8-20(26)18-15-28-22-5-3-2-4-17(18)22/h2-7,14-15H,8-13H2,1H3
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PubMed
500n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50102400
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(4-fluoro-2-methoxy...)
Show SMILES COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H23FN2O2S/c1-27-21-14-16(23)6-7-19(21)25-12-10-24(11-13-25)9-8-20(26)18-15-28-22-5-3-2-4-17(18)22/h2-7,14-15H,8-13H2,1H3
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
500n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetine


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102400
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(4-fluoro-2-methoxy...)
Show SMILES COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H23FN2O2S/c1-27-21-14-16(23)6-7-19(21)25-12-10-24(11-13-25)9-8-20(26)18-15-28-22-5-3-2-4-17(18)22/h2-7,14-15H,8-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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Article
PubMed
501n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102400
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(4-fluoro-2-methoxy...)
Show SMILES COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C22H23FN2O2S/c1-27-21-14-16(23)6-7-19(21)25-12-10-24(11-13-25)9-8-20(26)18-15-28-22-5-3-2-4-17(18)22/h2-7,14-15H,8-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
501n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair