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BDBM50136505 6-Methoxy-4,9-dihydro-3H-beta-carboline::CHEMBL6717

SMILES: COc1ccc2[nH]c3C=NCCc3c2c1

InChI Key: InChIKey=BJODVFITWMPYMU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50136505   
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 receptor 2a and 2c (5HT2A and 5HT2C)


(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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.19E+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
5-hydroxytryptamine receptor 2A


(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.37E+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