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BDBM50317192 2-Methyl-9-[5-(2-methyl-beta-carboline-9-yl)pentyl]-beta-carboline-2-ium diiodide::CHEMBL1095784

SMILES: C[n+]1ccc2c(c1)n(CCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21

InChI Key: InChIKey=KHJKHJVAFURGFJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50317192   
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))
BDBM50317192
PNG
(2-Methyl-9-[5-(2-methyl-beta-carboline-9-yl)pentyl...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C29H30N4/c1-30-18-14-24-22-10-4-6-12-26(22)32(28(24)20-30)16-8-3-9-17-33-27-13-7-5-11-23(27)25-15-19-31(2)21-29(25)33/h4-7,10-15,18-21H,3,8-9,16-17H2,1-2H3/q+2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/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))
BDBM50317192
PNG
(2-Methyl-9-[5-(2-methyl-beta-carboline-9-yl)pentyl...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C29H30N4/c1-30-18-14-24-22-10-4-6-12-26(22)32(28(24)20-30)16-8-3-9-17-33-27-13-7-5-11-23(27)25-15-19-31(2)21-29(25)33/h4-7,10-15,18-21H,3,8-9,16-17H2,1-2H3/q+2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/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