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Compile Data Set for Download or QSAR

Found 124 hits Enz. Inhib. hit(s) with all data for entry = 50013974   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nischarin


(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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136494
PNG
(8-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES Brc1cccc2c3CCNCc3[nH]c12
Show InChI InChI=1S/C11H11BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,13-14H,4-6H2
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21n/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
Nischarin


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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22n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136494
PNG
(8-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES Brc1cccc2c3CCNCc3[nH]c12
Show InChI InChI=1S/C11H11BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,13-14H,4-6H2
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22n/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 2C


(Rattus norvegicus (Rat))
BDBM50136498
PNG
(5-Isopropoxy-1-methyl-4,9-dihydro-3H-beta-carbolin...)
Show SMILES CC(C)Oc1cccc2[nH]c3c(CCN=C3C)c12 |c:14|
Show InChI InChI=1S/C15H18N2O/c1-9(2)18-13-6-4-5-12-14(13)11-7-8-16-10(3)15(11)17-12/h4-6,9,17H,7-8H2,1-3H3
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26n/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
Nischarin


(Homo sapiens (Human))
BDBM50136493
PNG
(1-Methyl-4,9-dihydro-3H-beta-carboline | 1-methyl-...)
Show SMILES CC1=NCCc2c1[nH]c1ccccc21 |t:1|
Show InChI InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
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46n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50136494
PNG
(8-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES Brc1cccc2c3CCNCc3[nH]c12
Show InChI InChI=1S/C11H11BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,13-14H,4-6H2
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48n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136499
PNG
(5-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1cccc2[nH]c3CNCCc3c12
Show InChI InChI=1S/C12H14N2O/c1-15-11-4-2-3-9-12(11)8-5-6-13-7-10(8)14-9/h2-4,13-14H,5-7H2,1H3
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75n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50136491
PNG
(5-Methoxy-4,9-dihydro-3H-beta-carboline | CHEMBL65...)
Show SMILES COc1cccc2[nH]c3C=NCCc3c12 |c:9|
Show InChI InChI=1S/C12H12N2O/c1-15-11-4-2-3-9-12(11)8-5-6-13-7-10(8)14-9/h2-4,7,14H,5-6H2,1H3
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75n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136501
PNG
(5-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES Brc1cccc2[nH]c3CNCCc3c12
Show InChI InChI=1S/C11H11BrN2/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-3,13-14H,4-6H2
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80n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136503
PNG
(8-Bromo-4,9-dihydro-3H-beta-carboline | CHEMBL6746)
Show SMILES Brc1cccc2c3CCN=Cc3[nH]c12 |c:9|
Show InChI InChI=1S/C11H9BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,6,14H,4-5H2
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110n/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 2A


(Rattus norvegicus (rat))
BDBM50136503
PNG
(8-Bromo-4,9-dihydro-3H-beta-carboline | CHEMBL6746)
Show SMILES Brc1cccc2c3CCN=Cc3[nH]c12 |c:9|
Show InChI InChI=1S/C11H9BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,6,14H,4-5H2
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115n/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 2A


(Rattus norvegicus (rat))
BDBM50136500
PNG
(5-Benzyloxy-4,9-dihydro-3H-beta-carboline | CHEMBL...)
Show SMILES C(Oc1cccc2[nH]c3C=NCCc3c12)c1ccccc1 |c:9|
Show InChI InChI=1S/C18H16N2O/c1-2-5-13(6-3-1)12-21-17-8-4-7-15-18(17)14-9-10-19-11-16(14)20-15/h1-8,11,20H,9-10,12H2
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124n/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))
BDBM50136499
PNG
(5-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1cccc2[nH]c3CNCCc3c12
Show InChI InChI=1S/C12H14N2O/c1-15-11-4-2-3-9-12(11)8-5-6-13-7-10(8)14-9/h2-4,13-14H,5-7H2,1H3
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130n/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 2C


(Rattus norvegicus (Rat))
BDBM50136501
PNG
(5-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES Brc1cccc2[nH]c3CNCCc3c12
Show InChI InChI=1S/C11H11BrN2/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-3,13-14H,4-6H2
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130n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50136499
PNG
(5-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1cccc2[nH]c3CNCCc3c12
Show InChI InChI=1S/C12H14N2O/c1-15-11-4-2-3-9-12(11)8-5-6-13-7-10(8)14-9/h2-4,13-14H,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 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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50136504
PNG
(5-Bromo-4,9-dihydro-3H-beta-carboline | CHEMBL2675...)
Show SMILES Brc1cccc2[nH]c3C=NCCc3c12 |c:8|
Show InChI InChI=1S/C11H9BrN2/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-3,6,14H,4-5H2
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140n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50136503
PNG
(8-Bromo-4,9-dihydro-3H-beta-carboline | CHEMBL6746)
Show SMILES Brc1cccc2c3CCN=Cc3[nH]c12 |c:9|
Show InChI InChI=1S/C11H9BrN2/c12-9-3-1-2-8-7-4-5-13-6-10(7)14-11(8)9/h1-3,6,14H,4-5H2
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140n/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
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
Nischarin


(Homo sapiens (Human))
BDBM50136493
PNG
(1-Methyl-4,9-dihydro-3H-beta-carboline | 1-methyl-...)
Show SMILES CC1=NCCc2c1[nH]c1ccccc21 |t:1|
Show InChI InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
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148n/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 2A


(Rattus norvegicus (rat))
BDBM50136501
PNG
(5-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES Brc1cccc2[nH]c3CNCCc3c12
Show InChI InChI=1S/C11H11BrN2/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-3,13-14H,4-6H2
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180n/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 2C


(Rattus norvegicus (Rat))
BDBM50136500
PNG
(5-Benzyloxy-4,9-dihydro-3H-beta-carboline | CHEMBL...)
Show SMILES C(Oc1cccc2[nH]c3C=NCCc3c12)c1ccccc1 |c:9|
Show InChI InChI=1S/C18H16N2O/c1-2-5-13(6-3-1)12-21-17-8-4-7-15-18(17)14-9-10-19-11-16(14)20-15/h1-8,11,20H,9-10,12H2
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200n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50136495
PNG
(6-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES Brc1ccc2[nH]c3CNCCc3c2c1
Show InChI InChI=1S/C11H11BrN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-2,5,13-14H,3-4,6H2
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210n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136507
PNG
(7-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES Brc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C11H11BrN2/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-2,5,13-14H,3-4,6H2
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240n/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 2C


(Rattus norvegicus (Rat))
BDBM50136507
PNG
(7-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES Brc1ccc2c3CCNCc3[nH]c2c1
Show InChI InChI=1S/C11H11BrN2/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-2,5,13-14H,3-4,6H2
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250n/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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50136493
PNG
(1-Methyl-4,9-dihydro-3H-beta-carboline | 1-methyl-...)
Show SMILES CC1=NCCc2c1[nH]c1ccccc21 |t:1|
Show InChI InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
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280n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136504
PNG
(5-Bromo-4,9-dihydro-3H-beta-carboline | CHEMBL2675...)
Show SMILES Brc1cccc2[nH]c3C=NCCc3c12 |c:8|
Show InChI InChI=1S/C11H9BrN2/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-3,6,14H,4-5H2
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390n/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))
BDBM50136502
PNG
(8-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1cccc2c3CCNCc3[nH]c12
Show InChI InChI=1S/C12H14N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-4,13-14H,5-7H2,1H3
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400n/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 2A


(Rattus norvegicus (rat))
BDBM50136491
PNG
(5-Methoxy-4,9-dihydro-3H-beta-carboline | CHEMBL65...)
Show SMILES COc1cccc2[nH]c3C=NCCc3c12 |c:9|
Show InChI InChI=1S/C12H12N2O/c1-15-11-4-2-3-9-12(11)8-5-6-13-7-10(8)14-9/h2-4,7,14H,5-6H2,1H3
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470n/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))
BDBM50136498
PNG
(5-Isopropoxy-1-methyl-4,9-dihydro-3H-beta-carbolin...)
Show SMILES CC(C)Oc1cccc2[nH]c3c(CCN=C3C)c12 |c:14|
Show InChI InChI=1S/C15H18N2O/c1-9(2)18-13-6-4-5-12-14(13)11-7-8-16-10(3)15(11)17-12/h4-6,9,17H,7-8H2,1-3H3
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470n/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))
BDBM50136491
PNG
(5-Methoxy-4,9-dihydro-3H-beta-carboline | CHEMBL65...)
Show SMILES COc1cccc2[nH]c3C=NCCc3c12 |c:9|
Show InChI InChI=1S/C12H12N2O/c1-15-11-4-2-3-9-12(11)8-5-6-13-7-10(8)14-9/h2-4,7,14H,5-6H2,1H3
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500n/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 2A


(Rattus norvegicus (rat))
BDBM50136495
PNG
(6-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES Brc1ccc2[nH]c3CNCCc3c2c1
Show InChI InChI=1S/C11H11BrN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-2,5,13-14H,3-4,6H2
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500n/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))
BDBM50136502
PNG
(8-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1cccc2c3CCNCc3[nH]c12
Show InChI InChI=1S/C12H14N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-4,13-14H,5-7H2,1H3
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640n/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
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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810n/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 5A


(Homo sapiens (Human))
BDBM50136493
PNG
(1-Methyl-4,9-dihydro-3H-beta-carboline | 1-methyl-...)
Show SMILES CC1=NCCc2c1[nH]c1ccccc21 |t:1|
Show InChI InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
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845n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50132104
PNG
(6-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline |...)
Show SMILES COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
Show InChI InChI=1S/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3
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924n/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 2C


(Rattus norvegicus (Rat))
BDBM50136506
PNG
(4,9-Dihydro-3H-beta-carboline | CHEMBL266221)
Show SMILES C1Cc2c(C=N1)[nH]c1ccccc21 |c:4|
Show InChI InChI=1S/C11H10N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,7,13H,5-6H2
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1.10E+3n/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
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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1.13E+3n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136493
PNG
(1-Methyl-4,9-dihydro-3H-beta-carboline | 1-methyl-...)
Show SMILES CC1=NCCc2c1[nH]c1ccccc21 |t:1|
Show InChI InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
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1.15E+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 2C


(Rattus norvegicus (Rat))
BDBM50136505
PNG
(6-Methoxy-4,9-dihydro-3H-beta-carboline | CHEMBL67...)
Show SMILES COc1ccc2[nH]c3C=NCCc3c2c1 |c:8|
Show InChI InChI=1S/C12H12N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6-7,14H,4-5H2,1H3
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1.17E+3n/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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50136508
PNG
(6-Bromo-4,9-dihydro-3H-beta-carboline | CHEMBL6626)
Show SMILES Brc1ccc2[nH]c3C=NCCc3c2c1 |c:7|
Show InChI InChI=1S/C11H9BrN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-2,5-6,14H,3-4H2
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1.20E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards cloned rat 5-hydroxytryptamine 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
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50136502
PNG
(8-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | C...)
Show SMILES COc1cccc2c3CCNCc3[nH]c12
Show InChI InChI=1S/C12H14N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-4,13-14H,5-7H2,1H3
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1.27E+3n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136497
PNG
(7-Bromo-4,9-dihydro-3H-beta-carboline | CHEMBL4289...)
Show SMILES Brc1ccc2c3CCN=Cc3[nH]c2c1 |c:8|
Show InChI InChI=1S/C11H9BrN2/c12-7-1-2-8-9-3-4-13-6-11(9)14-10(8)5-7/h1-2,5-6,14H,3-4H2
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1.33E+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 2C


(Rattus norvegicus (Rat))
BDBM50136509
PNG
(8-Methoxy-4,9-dihydro-3H-beta-carboline | CHEMBL26...)
Show SMILES COc1cccc2c3CCN=Cc3[nH]c12 |c:10|
Show InChI InChI=1S/C12H12N2O/c1-15-11-4-2-3-9-8-5-6-13-7-10(8)14-12(9)11/h2-4,7,14H,5-6H2,1H3
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1.35E+3n/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
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 2A


(Rattus norvegicus (rat))
BDBM50136492
PNG
(6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...)
Show SMILES COc1ccc2[nH]c3CNCCc3c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/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 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 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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50136496
PNG
(5-Isopropoxy-4,9-dihydro-3H-beta-carboline | CHEMB...)
Show SMILES CC(C)Oc1cccc2[nH]c3C=NCCc3c12 |c:11|
Show InChI InChI=1S/C14H16N2O/c1-9(2)17-13-5-3-4-11-14(13)10-6-7-15-8-12(10)16-11/h3-5,8-9,16H,6-7H2,1-2H3
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1.41E+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 from fundus tissue was determined using [3H]-mesulergine as radioligand


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))
BDBM50136493
PNG
(1-Methyl-4,9-dihydro-3H-beta-carboline | 1-methyl-...)
Show SMILES CC1=NCCc2c1[nH]c1ccccc21 |t:1|
Show InChI InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
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1.45E+3n/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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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PubMed
1.48E+3n/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
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