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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50456706'   
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))
BDBM50456706
PNG
(CHEMBL4217176)
Show SMILES [#6](-[#6]-[#6]-[#6][Se;v2]c1ccccc1)-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C25H30N2Se/c1(2-11-19-28-20-12-4-3-5-13-20)10-18-26-25-21-14-6-8-16-23(21)27-24-17-9-7-15-22(24)25/h3-6,8,12-14,16H,1-2,7,9-11,15,17-19H2,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
57n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk pl...


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))
BDBM50456706
PNG
(CHEMBL4217176)
Show SMILES [#6](-[#6]-[#6]-[#6][Se;v2]c1ccccc1)-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C25H30N2Se/c1(2-11-19-28-20-12-4-3-5-13-20)10-18-26-25-21-14-6-8-16-23(21)27-24-17-9-7-15-22(24)25/h3-6,8,12-14,16H,1-2,7,9-11,15,17-19H2,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
57n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum BuChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweav...


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