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BDBM30727 2-(5-butyl-1H-indol-3-yl)ethanamine;hydrochloride::2-(5-butyl-1H-indol-3-yl)ethylamine;hydrochloride::MLS000038861::SMR000057800::cid_6603611

SMILES: CCCCc1ccc2[nH]cc(CCN)c2c1

InChI Key: InChIKey=LEVMBRDBNSGBQA-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 30727   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM30727
PNG
(2-(5-butyl-1H-indol-3-yl)ethanamine;hydrochloride ...)
Show SMILES CCCCc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C14H20N2/c1-2-3-4-11-5-6-14-13(9-11)12(7-8-15)10-16-14/h5-6,9-10,16H,2-4,7-8,15H2,1H3
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PCBioAssay
n/an/an/an/a 1.82E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WW7G03
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM30727
PNG
(2-(5-butyl-1H-indol-3-yl)ethanamine;hydrochloride ...)
Show SMILES CCCCc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C14H20N2/c1-2-3-4-11-5-6-14-13(9-11)12(7-8-15)10-16-14/h5-6,9-10,16H,2-4,7-8,15H2,1H3
NCI pathway
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UniProtKB/SwissProt

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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a>4.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PN941W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM30727
PNG
(2-(5-butyl-1H-indol-3-yl)ethanamine;hydrochloride ...)
Show SMILES CCCCc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C14H20N2/c1-2-3-4-11-5-6-14-13(9-11)12(7-8-15)10-16-14/h5-6,9-10,16H,2-4,7-8,15H2,1H3
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.70E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q21N7ZG0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM30727
PNG
(2-(5-butyl-1H-indol-3-yl)ethanamine;hydrochloride ...)
Show SMILES CCCCc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C14H20N2/c1-2-3-4-11-5-6-14-13(9-11)12(7-8-15)10-16-14/h5-6,9-10,16H,2-4,7-8,15H2,1H3
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KEGG

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 11.3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q52MZM
More data for this
Ligand-Target Pair