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BDBM31030 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole::MLS000045807::SMR000028204::cid_3245407

SMILES: Cc1[nH]c2ccccc2c1C1=CCNCC1

InChI Key: InChIKey=JLVLNPGKFHWCCQ-UHFFFAOYSA-N

Data: 2 IC50  3 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 5 hits for monomerid = 31030   
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))
BDBM31030
PNG
(2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CCNCC1
Show InChI InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
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PCBioAssay
n/an/an/an/a 5.00E+4n/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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31030
PNG
(2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CCNCC1
Show InChI InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
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PCBioAssay
n/an/an/an/a 194n/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
HTR4


(GUINEA PIG)
BDBM31030
PNG
(2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CCNCC1
Show InChI InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from guinea pig 5HT4 receptor


Eur J Med Chem 63: 578-88 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.006
BindingDB Entry DOI: 10.7270/Q2Z89DSR
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31030
PNG
(2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CCNCC1
Show InChI InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
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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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM31030
PNG
(2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CCNCC1
Show InChI InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
PDB
MMDB

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B.MOAD
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PC sid
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Article
PCBioAssay
n/an/a 9.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc1000488
BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair