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BDBM50133229 1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-1-yl)-ethylamine::CHEMBL133868

SMILES: CC(N)Cc1c[nH]c2ccc3OCCCc3c12

InChI Key: InChIKey=VVHJUSGIUWQPIT-UHFFFAOYSA-N

Data: 16 KI  4 IC50  2 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 22 hits for monomerid = 50133229   
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))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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0.300n/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))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant 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


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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5.5n/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))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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13n/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 6 (5-HT6)


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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400n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against human 5-hydroxytryptamine 6 receptor using [3H]LSD 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 4 (5-HT4)


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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1.80E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 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 1D


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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1.90E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against human 5-hydroxytryptamine 5A receptor using [3H]LSD 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
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against Alpha-2B adrenergic receptor using [3H]MK-912 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 (5-HT) receptor


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against human 5-hydroxytryptamine 1B receptor using [3H]5-CT 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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against human serotonin transporter using [3H]N-Me-citalopram 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 3A


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against 5-hydroxytryptamine 3 receptor using [3H]GR-65630 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 1B


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against 5-hydroxytryptamine 1B receptor using with [125I]- cyanopindolol 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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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2.40E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against human 5-hydroxytryptamine 7 receptor using [3H]LSD 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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against Alpha-1A adrenergic receptor using [3H]-7-MeO prazosin 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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against norepinephrine transporter receptor using [3H]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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory constant against Alpha-1B adrenergic receptor using [3H]-7-MeO prazosin 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 2A


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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n/an/a 1.09E+4n/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))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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n/an/an/an/a 116n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Tested for functional response on CHO cells expressing 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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Alpha-2A adrenergic receptor using [3H]clonidine 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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
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n/an/a 0.700n/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
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50133229
PNG
(1-Methyl-2-(3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES CC(N)Cc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration required against Alpha-2C adrenergic receptor using [3H]clonidine 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