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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50133410'   
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))
BDBM50133410
PNG
(CHEMBL3632846)
Show SMILES COc1ccc2nc3CCCCc3c(NCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1
Show InChI InChI=1S/C30H37N3O4/c1-17-18(2)28-21(19(3)27(17)34)12-13-30(4,37-28)29(35)32-15-14-31-26-22-8-6-7-9-24(22)33-25-11-10-20(36-5)16-23(25)26/h10-11,16,34H,6-9,12-15H2,1-5H3,(H,31,33)(H,32,35)
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MMDB

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Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University Hospital Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...


J Med Chem 58: 8985-9003 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01325
BindingDB Entry DOI: 10.7270/Q29P33GZ
More data for this
Ligand-Target Pair