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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50234803'   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234803
PNG
(CHEMBL4099629)
Show SMILES [H][C@]1(CC[C@]2(COC(C)=O)CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])[C@@H](C)N |r|
Show InChI InChI=1S/C33H55NO4/c1-20(34)23-11-16-33(19-37-21(2)35)18-17-31(7)24(28(23)33)9-10-26-30(6)14-13-27(38-22(3)36)29(4,5)25(30)12-15-32(26,31)8/h20,23-28H,9-19,34H2,1-8H3/t20-,23+,24-,25+,26-,27+,28-,30+,31-,32-,33-/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.50E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measu...

Eur J Med Chem 126: 652-668 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.056
BindingDB Entry DOI: 10.7270/Q2X0698K
More data for this
Ligand-Target Pair