new BindingDB logo
myBDB logout

BDBM50317187 6-Methoxy-2-[5-(6-methoxy-beta-carboline-2-ium-2-yl)pentyl]-beta-carboline-2-ium dibromide::CHEMBL1094554

SMILES: COc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(OC)cc54)ccc3c2c1

InChI Key: InChIKey=SKXHDGSZNSAVDC-UHFFFAOYSA-P

Data: 3 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 3 hits for monomerid = 50317187   
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
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Homo sapiens (Human))
BDBM50317187
PNG
(6-Methoxy-2-[5-(6-methoxy-beta-carboline-2-ium-2-y...)
Show SMILES COc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(OC)cc54)ccc3c2c1
Show InChI InChI=1S/C29H28N4O2/c1-34-20-6-8-26-24(16-20)22-10-14-32(18-28(22)30-26)12-4-3-5-13-33-15-11-23-25-17-21(35-2)7-9-27(25)31-29(23)19-33/h6-11,14-19H,3-5,12-13H2,1-2H3/p+2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.94E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced human NR1-1a/NR2A receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L12-G10 cells assess...


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317187
PNG
(6-Methoxy-2-[5-(6-methoxy-beta-carboline-2-ium-2-y...)
Show SMILES COc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(OC)cc54)ccc3c2c1
Show InChI InChI=1S/C29H28N4O2/c1-34-20-6-8-26-24(16-20)22-10-14-32(18-28(22)30-26)12-4-3-5-13-33-15-11-23-25-17-21(35-2)7-9-27(25)31-29(23)19-33/h6-11,14-19H,3-5,12-13H2,1-2H3/p+2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317187
PNG
(6-Methoxy-2-[5-(6-methoxy-beta-carboline-2-ium-2-y...)
Show SMILES COc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(OC)cc54)ccc3c2c1
Show InChI InChI=1S/C29H28N4O2/c1-34-20-6-8-26-24(16-20)22-10-14-32(18-28(22)30-26)12-4-3-5-13-33-15-11-23-25-17-21(35-2)7-9-27(25)31-29(23)19-33/h6-11,14-19H,3-5,12-13H2,1-2H3/p+2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 319n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair