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BDBM50317191 2-[2-(2-{2-[2-(beta-Carboline-2-ium-2-yl)ethoxy]ethoxy}ethoxy)ethyl]-beta-carboline-2-ium dibromide::CHEMBL1088378

SMILES: C(COCC[n+]1ccc2c(c1)[nH]c1ccccc21)OCCOCC[n+]1ccc2c(c1)[nH]c1ccccc21

InChI Key: InChIKey=BZSDSYSGDUHDMQ-UHFFFAOYSA-P

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50317191   
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))
BDBM50317191
PNG
(2-[2-(2-{2-[2-(beta-Carboline-2-ium-2-yl)ethoxy]et...)
Show SMILES C(COCC[n+]1ccc2c(c1)[nH]c1ccccc21)OCCOCC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C30H30N4O3/c1-3-7-27-23(5-1)25-9-11-33(21-29(25)31-27)13-15-35-17-19-37-20-18-36-16-14-34-12-10-26-24-6-2-4-8-28(24)32-30(26)22-34/h1-12,21-22H,13-20H2/p+2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.09E+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))
BDBM50317191
PNG
(2-[2-(2-{2-[2-(beta-Carboline-2-ium-2-yl)ethoxy]et...)
Show SMILES C(COCC[n+]1ccc2c(c1)[nH]c1ccccc21)OCCOCC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C30H30N4O3/c1-3-7-27-23(5-1)25-9-11-33(21-29(25)31-27)13-15-35-17-19-37-20-18-36-16-14-34-12-10-26-24-6-2-4-8-28(24)32-30(26)22-34/h1-12,21-22H,13-20H2/p+2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.14E+3n/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))
BDBM50317191
PNG
(2-[2-(2-{2-[2-(beta-Carboline-2-ium-2-yl)ethoxy]et...)
Show SMILES C(COCC[n+]1ccc2c(c1)[nH]c1ccccc21)OCCOCC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C30H30N4O3/c1-3-7-27-23(5-1)25-9-11-33(21-29(25)31-27)13-15-35-17-19-37-20-18-36-16-14-34-12-10-26-24-6-2-4-8-28(24)32-30(26)22-34/h1-12,21-22H,13-20H2/p+2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 195n/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