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BDBM50317201 2-[5-(1,2,3,4-Tetrahydro-beta-carboline-2-yl)pentyl]-1,2,3,4-tetrahydro-bweta-carboline::CHEMBL1096869

SMILES: C(CCN1CCc2c(C1)[nH]c1ccccc21)CCN1CCc2c(C1)[nH]c1ccccc21

InChI Key: InChIKey=CVHWKCBSOHTLIK-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50317201   
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))
BDBM50317201
PNG
(2-[5-(1,2,3,4-Tetrahydro-beta-carboline-2-yl)penty...)
Show SMILES C(CCN1CCc2c(C1)[nH]c1ccccc21)CCN1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C27H32N4/c1(6-14-30-16-12-22-20-8-2-4-10-24(20)28-26(22)18-30)7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31/h2-5,8-11,28-29H,1,6-7,12-19H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+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))
BDBM50317201
PNG
(2-[5-(1,2,3,4-Tetrahydro-beta-carboline-2-yl)penty...)
Show SMILES C(CCN1CCc2c(C1)[nH]c1ccccc21)CCN1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C27H32N4/c1(6-14-30-16-12-22-20-8-2-4-10-24(20)28-26(22)18-30)7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31/h2-5,8-11,28-29H,1,6-7,12-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/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