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BDBM50317184 2-[10-(beta-Carboline-2-ium-2-yl)decyl]-beta-carboline-2-ium dibromide::CHEMBL1088656

SMILES: C(CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCC[n+]1ccc2c(c1)[nH]c1ccccc21

InChI Key: InChIKey=NCYIKOJQXYAHBQ-UHFFFAOYSA-P

Data: 4 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 4 hits for monomerid = 50317184   
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))
BDBM50317184
PNG
(2-[10-(beta-Carboline-2-ium-2-yl)decyl]-beta-carbo...)
Show SMILES C(CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C32H34N4/c1(3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35)2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36/h7-10,13-18,21-24H,1-6,11-12,19-20H2/p+2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10E+3n/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))
BDBM50317184
PNG
(2-[10-(beta-Carboline-2-ium-2-yl)decyl]-beta-carbo...)
Show SMILES C(CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C32H34N4/c1(3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35)2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36/h7-10,13-18,21-24H,1-6,11-12,19-20H2/p+2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/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))
BDBM50317184
PNG
(2-[10-(beta-Carboline-2-ium-2-yl)decyl]-beta-carbo...)
Show SMILES C(CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C32H34N4/c1(3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35)2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36/h7-10,13-18,21-24H,1-6,11-12,19-20H2/p+2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/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
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50317184
PNG
(2-[10-(beta-Carboline-2-ium-2-yl)decyl]-beta-carbo...)
Show SMILES C(CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C32H34N4/c1(3-5-11-19-35-21-17-27-25-13-7-9-15-29(25)33-31(27)23-35)2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36/h7-10,13-18,21-24H,1-6,11-12,19-20H2/p+2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of dexamethasone-induced human NR1-1a/NR2B receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L13-E6 cells assesse...


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