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BDBM50064580 6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-3H-benzothiazol-2-one::CHEMBL292935

SMILES: COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1

InChI Key: InChIKey=WTWQUACMZXIMOE-UHFFFAOYSA-N

Data: 6 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50064580   
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
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50064580
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-26-19-7-3-2-6-18(19)24-13-11-23(12-14-24)10-4-5-16-8-9-17-20(15-16)27-21(25)22-17/h2-3,6-9,15H,4-5,10-14H2,1H3,(H,22,25)
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n/an/a 61n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 1B receptor in membranes from rat frontal cortex using [3H]-5-HT


J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50064580
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-26-19-7-3-2-6-18(19)24-13-11-23(12-14-24)10-4-5-16-8-9-17-20(15-16)27-21(25)22-17/h2-3,6-9,15H,4-5,10-14H2,1H3,(H,22,25)
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n/an/a 6n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D2 in membranes from bovine striatum using [3H]-raclopride


J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50064580
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-26-19-7-3-2-6-18(19)24-13-11-23(12-14-24)10-4-5-16-8-9-17-20(15-16)27-21(25)22-17/h2-3,6-9,15H,4-5,10-14H2,1H3,(H,22,25)
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n/an/a 99n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2C receptor in membranes from pig choroid plexus using [3H]-N-methyl-mesulergine


J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50064580
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-26-19-7-3-2-6-18(19)24-13-11-23(12-14-24)10-4-5-16-8-9-17-20(15-16)27-21(25)22-17/h2-3,6-9,15H,4-5,10-14H2,1H3,(H,22,25)
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n/an/a 1n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(BOVINE)
BDBM50064580
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-26-19-7-3-2-6-18(19)24-13-11-23(12-14-24)10-4-5-16-8-9-17-20(15-16)27-21(25)22-17/h2-3,6-9,15H,4-5,10-14H2,1H3,(H,22,25)
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n/an/a 290n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]-Ketanserin


J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50064580
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-26-19-7-3-2-6-18(19)24-13-11-23(12-14-24)10-4-5-16-8-9-17-20(15-16)27-21(25)22-17/h2-3,6-9,15H,4-5,10-14H2,1H3,(H,22,25)
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n/an/a 11n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards 5-hydroxytryptamine 1A receptor in membranes from bovine hippocampus using [3H]-OH-DPAT


J Med Chem 41: 2010-8 (1998)


Article DOI: 10.1021/jm970298c
BindingDB Entry DOI: 10.7270/Q2FB522Q
More data for this
Ligand-Target Pair