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BDBM50012980 5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]octan-2-one::CHEMBL128329

SMILES: O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCC1

InChI Key: InChIKey=MNUMPEVJOGZKBX-UHFFFAOYSA-N

Data: 3 KI  4 IC50

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 7 hits for monomerid = 50012980   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012980
PNG
(5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]...)
Show SMILES O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCC1
Show InChI InChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2
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PubMed
2.30E+4n/an/an/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor by the displacement of [3H]-ketanserin in mouse cerebral cortex


J Med Chem 33: 386-94 (1990)


Article DOI: 10.1021/jm00163a062
BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 1a (5-HT1a) receptor


(Mus musculus (Mouse))
BDBM50012980
PNG
(5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]...)
Show SMILES O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCC1
Show InChI InChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2
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PubMed
3.20E+4n/an/an/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in mouse hippocampus


J Med Chem 33: 386-94 (1990)


Article DOI: 10.1021/jm00163a062
BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012980
PNG
(5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]...)
Show SMILES O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCC1
Show InChI InChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2
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7.00E+4n/an/an/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor by the displacement of [3H]-ketanserin in mouse cerebral cortex


J Med Chem 33: 386-94 (1990)


Article DOI: 10.1021/jm00163a062
BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012980
PNG
(5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]...)
Show SMILES O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCC1
Show InChI InChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2
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n/an/a 9.60E+4n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL


Assay Description
Inhibitory activity towards 5-hydroxytryptamine 2 receptor by the displacement of [3H]ketanserin in mouse cerebral cortex


J Med Chem 33: 386-94 (1990)


Article DOI: 10.1021/jm00163a062
BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 1a (5-HT1a) receptor


(Mus musculus (Mouse))
BDBM50012980
PNG
(5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]...)
Show SMILES O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCC1
Show InChI InChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2
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PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL


Assay Description
Inhibitory activity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in mouse hippocampus


J Med Chem 33: 386-94 (1990)


Article DOI: 10.1021/jm00163a062
BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50012980
PNG
(5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]...)
Show SMILES O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCC1
Show InChI InChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2
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PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL


Assay Description
Inhibitory activity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT in mouse hippocampus


J Med Chem 33: 386-94 (1990)


Article DOI: 10.1021/jm00163a062
BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50012980
PNG
(5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]...)
Show SMILES O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCC1
Show InChI InChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2
PDB

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Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Polytechnic University

Curated by ChEMBL


Assay Description
Inhibitory activity towards 5-hydroxytryptamine 2 receptor by the displacement of [3H]ketanserin in mouse cerebral cortex


J Med Chem 33: 386-94 (1990)


Article DOI: 10.1021/jm00163a062
BindingDB Entry DOI: 10.7270/Q23T9G58
More data for this
Ligand-Target Pair