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BDBM31034 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole::CHEMBL26655::MLS000120058::SMR000096975::cid_152215

SMILES: CN1CCC(=CC1)c1c[nH]c2ccccc12

InChI Key: InChIKey=IUENQRYBZHHPBN-UHFFFAOYSA-N

Data: 4 KI  1 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 8 hits for monomerid = 31034   
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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
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Article
PubMed
67n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


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


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
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98n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]-LSD


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
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145n/an/an/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement


J Med Chem 39: 126-34 (1996)


Article DOI: 10.1021/jm950410b
BindingDB Entry DOI: 10.7270/Q2VX0K7V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
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146n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


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


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
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n/an/a 690n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3099-104 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.040
BindingDB Entry DOI: 10.7270/Q2QN66F8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
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n/an/an/an/a 1.20E+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))
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
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PCBioAssay
n/an/an/an/a 6.78n/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