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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50430660'   
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))
BDBM50430660
PNG
(CHEMBL454594)
Show SMILES Cc1ccc(\C=C2/CN(C\C(=C/c3ccc(C)cc3)C2=O)C(=O)C=C)cc1
Show InChI InChI=1S/C24H23NO2/c1-4-23(26)25-15-21(13-19-9-5-17(2)6-10-19)24(27)22(16-25)14-20-11-7-18(3)8-12-20/h4-14H,1,15-16H2,2-3H3/b21-13+,22-14+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.51E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...


Bioorg Med Chem Lett 23: 2979-83 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.027
BindingDB Entry DOI: 10.7270/Q2057H97
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50430660
PNG
(CHEMBL454594)
Show SMILES Cc1ccc(\C=C2/CN(C\C(=C/c3ccc(C)cc3)C2=O)C(=O)C=C)cc1
Show InChI InChI=1S/C24H23NO2/c1-4-23(26)25-15-21(13-19-9-5-17(2)6-10-19)24(27)22(16-25)14-20-11-7-18(3)8-12-20/h4-14H,1,15-16H2,2-3H3/b21-13+,22-14+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.51E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride substrate by Ellman's method based spectrophotometry


Bioorg Med Chem 21: 1696-707 (2013)


Article DOI: 10.1016/j.bmc.2013.01.066
BindingDB Entry DOI: 10.7270/Q2RJ4KVQ
More data for this
Ligand-Target Pair