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BDBM50068302 CHEMBL3402305

SMILES: C(CCCn1ccc2ccccc12)CCNC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=QUBQVMGEJKDABO-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 = 50068302   
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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50068302
PNG
(CHEMBL3402305)
Show SMILES C(CCCn1ccc2ccccc12)CCNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H35N3/c1(2-9-18-29-21-14-24-12-6-7-13-26(24)29)8-17-27-25-15-19-28(20-16-25)22-23-10-4-3-5-11-23/h3-7,10-14,21,25,27H,1-2,8-9,15-20,22H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins by Ellman method


Bioorg Med Chem 23: 2445-57 (2015)


Article DOI: 10.1016/j.bmc.2015.03.051
BindingDB Entry DOI: 10.7270/Q2CZ38VB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50068302
PNG
(CHEMBL3402305)
Show SMILES C(CCCn1ccc2ccccc12)CCNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H35N3/c1(2-9-18-29-21-14-24-12-6-7-13-26(24)29)8-17-27-25-15-19-28(20-16-25)22-23-10-4-3-5-11-23/h3-7,10-14,21,25,27H,1-2,8-9,15-20,22H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins by Ellman method


Bioorg Med Chem 23: 2445-57 (2015)


Article DOI: 10.1016/j.bmc.2015.03.051
BindingDB Entry DOI: 10.7270/Q2CZ38VB
More data for this
Ligand-Target Pair