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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50204758'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterase


(Equus caballus (Horse))
BDBM50204758
PNG
(CHEMBL3891369)
Show SMILES COc1cc2CC(CC3CCN(Cc4ncccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-16-5-4-8-25-21(16)15-26-9-6-17(7-10-26)11-19-12-18-13-22(28-2)23(29-3)14-20(18)24(19)27/h4-5,8,13-14,17,19H,6-7,9-12,15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.56E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...


Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204758
PNG
(CHEMBL3891369)
Show SMILES COc1cc2CC(CC3CCN(Cc4ncccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-16-5-4-8-25-21(16)15-26-9-6-17(7-10-26)11-19-12-18-13-22(28-2)23(29-3)14-20(18)24(19)27/h4-5,8,13-14,17,19H,6-7,9-12,15H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.92E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...


Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair