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BDBM50132097 7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline::CHEMBL6310

SMILES: COc1ccc2c3CCNCc3[nH]c2c1

InChI Key: InChIKey=SCIRNASYBOGBOO-UHFFFAOYSA-N

Data: 28 KI

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 28 hits for monomerid = 50132097   
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
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Imidazoline I2 receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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140n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Imidazoline I1 receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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140n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at alpha 2B adrenergic receptor of rat.


Bioorg Med Chem Lett 14: 999-1002 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.078
BindingDB Entry DOI: 10.7270/Q2SB456G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2A receptor of rat.


Bioorg Med Chem Lett 14: 999-1002 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.078
BindingDB Entry DOI: 10.7270/Q2SB456G
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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1.37E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2A-Adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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1.40E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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1.74E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2C adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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2.20E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards cloned rat 5-hydroxytryptamine 2A receptor by [3H]-ketanserin displacement.


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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4.62E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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4.62E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT3 receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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8.84E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at alpha-2 adrenergic receptors of rat.


Bioorg Med Chem Lett 14: 999-1002 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.078
BindingDB Entry DOI: 10.7270/Q2SB456G
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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8.84E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for rat alpha-2 adrenergic receptor from crude P2 membranes


Bioorg Med Chem Lett 14: 527-9 (2003)


BindingDB Entry DOI: 10.7270/Q20G3JKT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards cloned rat 5-hydroxytryptamine 2C receptor from fundus tissue by [3H]-mesulergine displacement.


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for rat imidazoline receptor I-1 from crude P2 membranes


Bioorg Med Chem Lett 14: 527-9 (2003)


BindingDB Entry DOI: 10.7270/Q20G3JKT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2A adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-1A adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for rat 5-hydroxytryptamine 2A receptor using [3H]-DOB


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT5A receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50132097
PNG
(7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity at imidazoline receptor I-1 of rat.


Bioorg Med Chem Lett 14: 999-1002 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.078
BindingDB Entry DOI: 10.7270/Q2SB456G
More data for this
Ligand-Target Pair