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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50505208   
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


(Homo sapiens (Human))
BDBM50505208
PNG
(CHEMBL3311040)
Show SMILES COc1ccc(cc1OC)-c1coc2c3C=CC(C)(C)Oc3ccc2c1=O |c:16|
Show InChI InChI=1S/C22H20O5/c1-22(2)10-9-14-17(27-22)8-6-15-20(23)16(12-26-21(14)15)13-5-7-18(24-3)19(11-13)25-4/h5-12H,1-4H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
920n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of BChE (unknown origin) using butyrylthiocholine iodide as substrate by Ellman's method based Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 29: 1194-1198 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.024
BindingDB Entry DOI: 10.7270/Q2HH6PBG
More data for this
Ligand-Target Pair