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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50541569'   
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))
BDBM50541569
PNG
(CHEMBL4638699)
Show SMILES [H][C@]1([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)C=CC(=O)C4(C)C |r,c:29|
Show InChI InChI=1S/C26H41NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h10-11,16-19,21,28H,8-9,12-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Defence

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butyrylthiocholine chloride as substrate by spectrophotometric based Ellman's method


J Nat Prod 83: 1359-1367 (2020)


Article DOI: 10.1021/acs.jnatprod.9b00561
BindingDB Entry DOI: 10.7270/Q2XG9VQ0
More data for this
Ligand-Target Pair