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BDBM50014210 1-(1H-Indol-3-yl)-2-propanamine::1-(1H-indol-3-yl)propan-2-amine::3-(2-Aminopropyl)indole::CHEMBL30713::DL-3-(2-Aminopropyl)indole::Indopan::alpha-Methyl-1H-indole-3-ethanamine::alpha-Methyl-3-indoleethanamine::alpha-Methyl-beta-indoleethylamine::alpha-methyltryptamine

SMILES: CC(N)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=QSQQQURBVYWZKJ-UHFFFAOYSA-N

Data: 12 KI  4 EC50

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 16 hits for monomerid = 50014210   
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))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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PubMed
530n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 33: 2777-84 (1990)


BindingDB Entry DOI: 10.7270/Q2GX49JP
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


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


J Med Chem 33: 2777-84 (1990)


BindingDB Entry DOI: 10.7270/Q2GX49JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Homo sapiens (Human))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from human recombinant alpha4beta4 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counti...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting an...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiotidine from human recombinant histamine H2 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting ana...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Pentazocine from guinea pig sigma 1 receptor after 1 to 1.5 hrs by scintillation counting analysis


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation count...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from human recombinant 5-HT3 receptor expressed in HEK293T cells after 1 to 1.5 hrs by scintillation counting analysis


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from alpha4beta2 nACh receptor in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from human recombinant alpha4beta2 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counti...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta4


(Homo sapiens (Human))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from human recombinant alpha2beta4 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counti...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta2


(Homo sapiens (Human))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from human recombinant alpha2beta2 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counti...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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PubMed
n/an/an/an/a 23n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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PubMed
n/an/an/an/a 79n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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n/an/an/an/a 112n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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n/an/an/an/a 22n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair