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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase (BuChE)' and Ligand = 'BDBM50306339'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50306339
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(N2CCOCC2)C(=O)Nc2ccccc2)c(c1)C(C)C
Show InChI InChI=1S/C26H34N2O3/c1-18(2)20-10-11-22(23(16-20)19(3)4)25(29)17-24(28-12-14-31-15-13-28)26(30)27-21-8-6-5-7-9-21/h5-11,16,18-19,24H,12-15,17H2,1-4H3,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.18E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Lineweaver-Burk plot


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50306339
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(N2CCOCC2)C(=O)Nc2ccccc2)c(c1)C(C)C
Show InChI InChI=1S/C26H34N2O3/c1-18(2)20-10-11-22(23(16-20)19(3)4)25(29)17-24(28-12-14-31-15-13-28)26(30)27-21-8-6-5-7-9-21/h5-11,16,18-19,24H,12-15,17H2,1-4H3,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.48E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair