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6 similar compounds to monomer 50081702

Compile data set for download or QSAR
Wt: 258.3
BDBM50029153
Wt: 322.4
BDBM50038687
Wt: 258.3
BDBM50038690
Wt: 230.3
BDBM50081703
Wt: 244.3
BDBM50081704
Wt: 230.3
BDBM50081707

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50029153,50038687,50038690,50081703,50081704,50081707   
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


(Homo sapiens (Human))
BDBM50038687
PNG
(CHEMBL58133 | [2-(5-Methoxy-1H-indol-3-yl)-ethyl]-...)
Show SMILES COc1ccc2[nH]cc(CCNCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C21H26N2O/c1-24-19-10-11-21-20(15-19)18(16-23-21)12-14-22-13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15-16,22-23H,5-6,9,12-14H2,1H3
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13n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


Article DOI: 10.1021/jm00039a004
BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038687
PNG
(CHEMBL58133 | [2-(5-Methoxy-1H-indol-3-yl)-ethyl]-...)
Show SMILES COc1ccc2[nH]cc(CCNCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C21H26N2O/c1-24-19-10-11-21-20(15-19)18(16-23-21)12-14-22-13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15-16,22-23H,5-6,9,12-14H2,1H3
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22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (K) labeled with [3H]-ketanserin.


J Med Chem 37: 1929-35 (1994)


Article DOI: 10.1021/jm00039a004
BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038690
PNG
(5-Methoxy-3-(2-piperidin-1-yl-ethyl)-1H-indole | C...)
Show SMILES COc1ccc2[nH]cc(CCN3CCCCC3)c2c1
Show InChI InChI=1S/C16H22N2O/c1-19-14-5-6-16-15(11-14)13(12-17-16)7-10-18-8-3-2-4-9-18/h5-6,11-12,17H,2-4,7-10H2,1H3
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160n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (K) labeled with [3H]-ketanserin.


J Med Chem 37: 1929-35 (1994)


Article DOI: 10.1021/jm00039a004
BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50081707
PNG
(3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol-6-...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2cc(O)ccc12
Show InChI InChI=1S/C14H18N2O/c1-16-6-2-3-11(16)7-10-9-15-14-8-12(17)4-5-13(10)14/h4-5,8-9,11,15,17H,2-3,6-7H2,1H3/t11-/m1/s1
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210n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.


J Med Chem 42: 4257-63 (1999)


Article DOI: 10.1021/jm990325u
BindingDB Entry DOI: 10.7270/Q2FX78PW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038690
PNG
(5-Methoxy-3-(2-piperidin-1-yl-ethyl)-1H-indole | C...)
Show SMILES COc1ccc2[nH]cc(CCN3CCCCC3)c2c1
Show InChI InChI=1S/C16H22N2O/c1-19-14-5-6-16-15(11-14)13(12-17-16)7-10-18-8-3-2-4-9-18/h5-6,11-12,17H,2-4,7-10H2,1H3
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230n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


Article DOI: 10.1021/jm00039a004
BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50081704
PNG
(5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
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400n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.


J Med Chem 42: 4257-63 (1999)


Article DOI: 10.1021/jm990325u
BindingDB Entry DOI: 10.7270/Q2FX78PW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50038687
PNG
(CHEMBL58133 | [2-(5-Methoxy-1H-indol-3-yl)-ethyl]-...)
Show SMILES COc1ccc2[nH]cc(CCNCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C21H26N2O/c1-24-19-10-11-21-20(15-19)18(16-23-21)12-14-22-13-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,15-16,22-23H,5-6,9,12-14H2,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2C receptor in J1 cells transfected with the rat 5-HT2C gene labeled with [3H]-mesulergine.


J Med Chem 37: 1929-35 (1994)


Article DOI: 10.1021/jm00039a004
BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50081703
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol-6-...)
Show SMILES CN1CCC[C@H]1Cc1c[nH]c2cc(O)ccc12
Show InChI InChI=1S/C14H18N2O/c1-16-6-2-3-11(16)7-10-9-15-14-8-12(17)4-5-13(10)14/h4-5,8-9,11,15,17H,2-3,6-7H2,1H3/t11-/m0/s1
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4.70E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.


J Med Chem 42: 4257-63 (1999)


Article DOI: 10.1021/jm990325u
BindingDB Entry DOI: 10.7270/Q2FX78PW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50038690
PNG
(5-Methoxy-3-(2-piperidin-1-yl-ethyl)-1H-indole | C...)
Show SMILES COc1ccc2[nH]cc(CCN3CCCCC3)c2c1
Show InChI InChI=1S/C16H22N2O/c1-19-14-5-6-16-15(11-14)13(12-17-16)7-10-18-8-3-2-4-9-18/h5-6,11-12,17H,2-4,7-10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2C receptor in J1 cells transfected with the rat 5-HT2C gene labeled with [3H]-mesulergine.


J Med Chem 37: 1929-35 (1994)


Article DOI: 10.1021/jm00039a004
BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50081704
PNG
(5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor


J Med Chem 35: 4503-5 (1992)


Article DOI: 10.1021/jm00101a032
BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor


(GUINEA PIG)
BDBM50081704
PNG
(5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
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n/an/an/an/a 43n/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Effect of the compound on forskolin stimulated adenylate cyclase activity at 5-HT1D receptor of guinea pig substantia nigra.


J Med Chem 35: 4503-5 (1992)


Article DOI: 10.1021/jm00101a032
BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50081704
PNG
(5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
PDB

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n/an/a 830n/an/an/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1B receptor


J Med Chem 35: 4503-5 (1992)


Article DOI: 10.1021/jm00101a032
BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50029153
PNG
(5-Methoxy-3-(2-piperidin-4-yl-ethyl)-1H-indole | C...)
Show SMILES COc1ccc2[nH]cc(CCC3CCNCC3)c2c1
Show InChI InChI=1S/C16H22N2O/c1-19-14-4-5-16-15(10-14)13(11-18-16)3-2-12-6-8-17-9-7-12/h4-5,10-12,17-18H,2-3,6-9H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibition of uptake of 5-HT in human platelets


J Med Chem 23: 1306-10 (1981)


Article DOI: 10.1021/jm00186a005
BindingDB Entry DOI: 10.7270/Q2GT5NQD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50081704
PNG
(5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
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n/an/an/an/a 35n/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Effect of the compound on forskolin stimulated adenylate cyclase activity at 5-hydroxytryptamine 1A receptor of guinea pig hippocampus.


J Med Chem 35: 4503-5 (1992)


Article DOI: 10.1021/jm00101a032
BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50029153
PNG
(5-Methoxy-3-(2-piperidin-4-yl-ethyl)-1H-indole | C...)
Show SMILES COc1ccc2[nH]cc(CCC3CCNCC3)c2c1
Show InChI InChI=1S/C16H22N2O/c1-19-14-4-5-16-15(10-14)13(11-18-16)3-2-12-6-8-17-9-7-12/h4-5,10-12,17-18H,2-3,6-9H2,1H3
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of 5-HT in rat brain cortex


J Med Chem 23: 1306-10 (1981)


Article DOI: 10.1021/jm00186a005
BindingDB Entry DOI: 10.7270/Q2GT5NQD
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50029153
PNG
(5-Methoxy-3-(2-piperidin-4-yl-ethyl)-1H-indole | C...)
Show SMILES COc1ccc2[nH]cc(CCC3CCNCC3)c2c1
Show InChI InChI=1S/C16H22N2O/c1-19-14-4-5-16-15(10-14)13(11-18-16)3-2-12-6-8-17-9-7-12/h4-5,10-12,17-18H,2-3,6-9H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of noradrenaline in rat brain hypothalamus


J Med Chem 23: 1306-10 (1981)


Article DOI: 10.1021/jm00186a005
BindingDB Entry DOI: 10.7270/Q2GT5NQD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50081704
PNG
(5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor using [125I]DOI as radioligand.


J Med Chem 35: 4503-5 (1992)


Article DOI: 10.1021/jm00101a032
BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50081704
PNG
(5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor using [3H]ket as radioligand.


J Med Chem 35: 4503-5 (1992)


Article DOI: 10.1021/jm00101a032
BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor


(GUINEA PIG)
BDBM50081704
PNG
(5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor


J Med Chem 35: 4503-5 (1992)


Article DOI: 10.1021/jm00101a032
BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50081704
PNG
(5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Pfizer, Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1C receptor


J Med Chem 35: 4503-5 (1992)


Article DOI: 10.1021/jm00101a032
BindingDB Entry DOI: 10.7270/Q29C6WC5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50029153
PNG
(5-Methoxy-3-(2-piperidin-4-yl-ethyl)-1H-indole | C...)
Show SMILES COc1ccc2[nH]cc(CCC3CCNCC3)c2c1
Show InChI InChI=1S/C16H22N2O/c1-19-14-4-5-16-15(10-14)13(11-18-16)3-2-12-6-8-17-9-7-12/h4-5,10-12,17-18H,2-3,6-9H2,1H3
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PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of dopamine (DA) rat brain striatum


J Med Chem 23: 1306-10 (1981)


Article DOI: 10.1021/jm00186a005
BindingDB Entry DOI: 10.7270/Q2GT5NQD
More data for this
Ligand-Target Pair