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BDBM50317194 2-[4-(beta-Carboline-2-ium-2-yl)butyl]-beta-carboline-2-ium dibromide::CHEMBL1088353

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

InChI Key: InChIKey=KYDMGUUGVFJGOH-UHFFFAOYSA-P

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317194   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317194
PNG
(2-[4-(beta-Carboline-2-ium-2-yl)butyl]-beta-carbol...)
Show SMILES C(CC[n+]1ccc2c(c1)[nH]c1ccccc21)C[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C26H22N4/c1-3-9-23-19(7-1)21-11-15-29(17-25(21)27-23)13-5-6-14-30-16-12-22-20-8-2-4-10-24(20)28-26(22)18-30/h1-4,7-12,15-18H,5-6,13-14H2/p+2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 278n/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))
BDBM50317194
PNG
(2-[4-(beta-Carboline-2-ium-2-yl)butyl]-beta-carbol...)
Show SMILES C(CC[n+]1ccc2c(c1)[nH]c1ccccc21)C[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C26H22N4/c1-3-9-23-19(7-1)21-11-15-29(17-25(21)27-23)13-5-6-14-30-16-12-22-20-8-2-4-10-24(20)28-26(22)18-30/h1-4,7-12,15-18H,5-6,13-14H2/p+2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/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