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BDBM50317189 2-[3-(beta-Carboline-2-ium-2-yl)propyl]-beta-carboline-2-ium dibromide::CHEMBL1088224

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

InChI Key: InChIKey=UXACSAKKMWLIIJ-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 = 50317189   
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
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50317189
PNG
(2-[3-(beta-Carboline-2-ium-2-yl)propyl]-beta-carbo...)
Show SMILES C(C[n+]1ccc2c(c1)[nH]c1ccccc21)C[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C25H20N4/c1-3-8-22-18(6-1)20-10-14-28(16-24(20)26-22)12-5-13-29-15-11-21-19-7-2-4-9-23(19)27-25(21)17-29/h1-4,6-11,14-17H,5,12-13H2/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 1.73E+4n/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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317189
PNG
(2-[3-(beta-Carboline-2-ium-2-yl)propyl]-beta-carbo...)
Show SMILES C(C[n+]1ccc2c(c1)[nH]c1ccccc21)C[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C25H20N4/c1-3-8-22-18(6-1)20-10-14-28(16-24(20)26-22)12-5-13-29-15-11-21-19-7-2-4-9-23(19)27-25(21)17-29/h1-4,6-11,14-17H,5,12-13H2/p+2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.66E+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))
BDBM50317189
PNG
(2-[3-(beta-Carboline-2-ium-2-yl)propyl]-beta-carbo...)
Show SMILES C(C[n+]1ccc2c(c1)[nH]c1ccccc21)C[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C25H20N4/c1-3-8-22-18(6-1)20-10-14-28(16-24(20)26-22)12-5-13-29-15-11-21-19-7-2-4-9-23(19)27-25(21)17-29/h1-4,6-11,14-17H,5,12-13H2/p+2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 652n/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
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Homo sapiens (Human))
BDBM50317189
PNG
(2-[3-(beta-Carboline-2-ium-2-yl)propyl]-beta-carbo...)
Show SMILES C(C[n+]1ccc2c(c1)[nH]c1ccccc21)C[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C25H20N4/c1-3-8-22-18(6-1)20-10-14-28(16-24(20)26-22)12-5-13-29-15-11-21-19-7-2-4-9-23(19)27-25(21)17-29/h1-4,6-11,14-17H,5,12-13H2/p+2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.48E+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