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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50456709'   
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))
BDBM50456709
PNG
(CHEMBL4205454)
Show SMILES [#6]-[#8]-c1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N4OSe/c1-32-21-16-14-20(15-17-21)30-27(33)29-19-9-3-2-8-18-28-26-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)26/h4,6,10,12,14-17H,2-3,5,7-9,11,13,18-19H2,1H3,(H,28,31)(H2,29,30,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
29n/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))
BDBM50456709
PNG
(CHEMBL4205454)
Show SMILES [#6]-[#8]-c1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N4OSe/c1-32-21-16-14-20(15-17-21)30-27(33)29-19-9-3-2-8-18-28-26-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)26/h4,6,10,12,14-17H,2-3,5,7-9,11,13,18-19H2,1H3,(H,28,31)(H2,29,30,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
29n/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