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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50456708'   
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))
BDBM50456708
PNG
(CHEMBL4204315)
Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C36H46N4Se2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
92n/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
Cholinesterase


(Equus caballus (Horse))
BDBM50456708
PNG
(CHEMBL4204315)
Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C36H46N4Se2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
350n/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