new BindingDB logo
myBDB logout

BDBM50029799 7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline::7-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline::7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole::CHEMBL2089157::CHEMBL340807::HARMALINE

SMILES: COc1ccc2c3CCN=C(C)c3[nH]c2c1

InChI Key: InChIKey=RERZNCLIYCABFS-UHFFFAOYSA-N

Data: 1 KI  5 IC50

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 6 hits for monomerid = 50029799   
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 (5-HT) receptor


(Homo sapiens (Human))
BDBM50029799
PNG
(7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline |...)
Show SMILES COc1ccc2c3CCN=C(C)c3[nH]c2c1
Show InChI InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>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)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50029799
PNG
(7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline |...)
Show SMILES COc1ccc2c3CCN=C(C)c3[nH]c2c1
Show InChI InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase B


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50029799
PNG
(7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline |...)
Show SMILES COc1ccc2c3CCN=C(C)c3[nH]c2c1
Show InChI InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.37E+4n/an/an/an/an/an/a



Naresuan University

Curated by ChEMBL


Assay Description
Inhibition of human AChE by Ellman's method


Bioorg Med Chem Lett 22: 2885-8 (2012)

More data for this
Ligand-Target Pair
Snake venom metalloproteinase Bap1


(Bothrops asper)
BDBM50029799
PNG
(7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline |...)
Show SMILES COc1ccc2c3CCN=C(C)c3[nH]c2c1
Show InChI InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 7.04E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectroph...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50029799
PNG
(7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline |...)
Show SMILES COc1ccc2c3CCN=C(C)c3[nH]c2c1
Show InChI InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Naresuan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine iodide as substrate measured every 5 sec for 2 mins by Ellman's method


Bioorg Med Chem Lett 22: 2885-8 (2012)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50029799
PNG
(7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline |...)
Show SMILES COc1ccc2c3CCN=C(C)c3[nH]c2c1
Show InChI InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



Université Paris 7

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat brain Monoamine oxidase A


Citation and Details
More data for this
Ligand-Target Pair