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BDBM50136502 8-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline::CHEMBL269571

SMILES: COc1cccc2c3CCNCc3[nH]c12

InChI Key: InChIKey=KKTKOWJABJYACN-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 = 50136502   
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))
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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PubMed
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-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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Article
PubMed
640n/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
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
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(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
KEGG

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PubMed
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