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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50456705'   
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))
BDBM50456705
PNG
(CHEMBL4209832)
Show SMILES O=[#6](-[#6][Se;v2]c1ccccc1)-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C21H20N2OSe/c24-20(14-25-15-8-2-1-3-9-15)23-21-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)21/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
518n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456705
PNG
(CHEMBL4209832)
Show SMILES O=[#6](-[#6][Se;v2]c1ccccc1)-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C21H20N2OSe/c24-20(14-25-15-8-2-1-3-9-15)23-21-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)21/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.71E+3n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine serum BuChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Bu...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair