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BDBM50003039 2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-ethylamine::CHEMBL27173

SMILES: NCCc1c[nH]c2ccc3OCCCc3c12

InChI Key: InChIKey=CRBUBLCOTKWRPR-UHFFFAOYSA-N

Data: 4 KI  7 IC50  1 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 12 hits for monomerid = 50003039   
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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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PubMed
0.600n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [125I]DOI binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex


J Med Chem 46: 4188-95 (2003)


Article DOI: 10.1021/jm030205t
BindingDB Entry DOI: 10.7270/Q2Z320C1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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4.90n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant determined against cloned human 5-hydroxytryptamine 2A receptor using with [125I]- DOI radioligand


J Med Chem 46: 4188-95 (2003)


Article DOI: 10.1021/jm030205t
BindingDB Entry DOI: 10.7270/Q2Z320C1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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6.30n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human 5-hydroxytryptamine 2C receptor using with [125I]- DOI radioligand


J Med Chem 46: 4188-95 (2003)


Article DOI: 10.1021/jm030205t
BindingDB Entry DOI: 10.7270/Q2Z320C1
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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14n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human 5-hydroxytryptamine 2B receptor using with [125I]- DOI radioligand


J Med Chem 46: 4188-95 (2003)


Article DOI: 10.1021/jm030205t
BindingDB Entry DOI: 10.7270/Q2Z320C1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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n/an/a 287n/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against [3H]8-OH-DPAT binding to cloned human 5-hydroxytryptamine 1A receptor


J Med Chem 46: 4188-95 (2003)


Article DOI: 10.1021/jm030205t
BindingDB Entry DOI: 10.7270/Q2Z320C1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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n/an/an/an/a 181n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
In vitro relative agonist activity against 5-hydroxytryptamine 2A using PI assay in rat vascular smooth muscle cells


J Med Chem 46: 4188-95 (2003)


Article DOI: 10.1021/jm030205t
BindingDB Entry DOI: 10.7270/Q2Z320C1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 2 receptor in rat anterior cortex using [125I]DOI as radioligand


J Med Chem 35: 3625-32 (1992)


Article DOI: 10.1021/jm00098a005
BindingDB Entry DOI: 10.7270/Q2125RK7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
UniProtKB/SwissProt

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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 2 receptor in rat anterior cortex using [3H]ketanserin as radioligand


J Med Chem 35: 3625-32 (1992)


Article DOI: 10.1021/jm00098a005
BindingDB Entry DOI: 10.7270/Q2125RK7
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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n/an/a 41n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1C receptor in pig choroid plexus using [3H]-mesulergine as radioligand


J Med Chem 35: 3625-32 (1992)


Article DOI: 10.1021/jm00098a005
BindingDB Entry DOI: 10.7270/Q2125RK7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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PubMed
n/an/a 110n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]- serotonin as radioligand


J Med Chem 35: 3625-32 (1992)


Article DOI: 10.1021/jm00098a005
BindingDB Entry DOI: 10.7270/Q2125RK7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
KEGG

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n/an/a 610n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 35: 3625-32 (1992)


Article DOI: 10.1021/jm00098a005
BindingDB Entry DOI: 10.7270/Q2125RK7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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n/an/a 1.80n/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]DOI binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex


J Med Chem 46: 4188-95 (2003)


Article DOI: 10.1021/jm030205t
BindingDB Entry DOI: 10.7270/Q2Z320C1
More data for this
Ligand-Target Pair