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BDBM50136501 5-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline::CHEMBL6426

SMILES: Brc1cccc2[nH]c3CNCCc3c12

InChI Key: InChIKey=AOMJWOGZKNQVBI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50136501   
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
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
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(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 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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-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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Article
PubMed
390n/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