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BDBM50443686 CHEMBL3093173

SMILES: COc1ccc(\C=C2/COc3cc(OCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1

InChI Key: InChIKey=SKUMQRLMZICTHQ-NJNXFGOHSA-N

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 = 50443686   
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))
BDBM50443686
PNG
(CHEMBL3093173)
Show SMILES COc1ccc(\C=C2/COc3cc(OCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
Show InChI InChI=1S/C35H36N2O4/c1-39-26-15-13-24(14-16-26)21-25-23-41-33-22-27(17-18-30(33)35(25)38)40-20-8-2-7-19-36-34-28-9-3-5-11-31(28)37-32-12-6-4-10-29(32)34/h3,5,9,11,13-18,21-22H,2,4,6-8,10,12,19-20,23H2,1H3,(H,36,37)/b25-21+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every ...


Bioorg Med Chem 21: 7406-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.050
BindingDB Entry DOI: 10.7270/Q2DV1MCQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50443686
PNG
(CHEMBL3093173)
Show SMILES COc1ccc(\C=C2/COc3cc(OCCCCCNc4c5CCCCc5nc5ccccc45)ccc3C2=O)cc1
Show InChI InChI=1S/C35H36N2O4/c1-39-26-15-13-24(14-16-26)21-25-23-41-33-22-27(17-18-30(33)35(25)38)40-20-8-2-7-19-36-34-28-9-3-5-11-31(28)37-32-12-6-4-10-29(32)34/h3,5,9,11,13-18,21-22H,2,4,6-8,10,12,19-20,23H2,1H3,(H,36,37)/b25-21+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 1...


Bioorg Med Chem 21: 7406-17 (2013)


Article DOI: 10.1016/j.bmc.2013.09.050
BindingDB Entry DOI: 10.7270/Q2DV1MCQ
More data for this
Ligand-Target Pair