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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50292394'   
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))		BDBM50292394
PNG
(4alpha-(hydroxymethyl)-4alpha-demethylterritrem B ...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc2O[C@]3(C)CC[C@@]4(O)[C@](C)(CO)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1 |r,c:27|
Show InChI InChI=1S/C29H34O10/c1-25(15-30)8-7-22(31)27(3)28(25,33)10-9-26(2)29(27,34)14-17-19(39-26)13-18(38-24(17)32)16-11-20(35-4)23(37-6)21(12-16)36-5/h7-8,11-13,30,33-34H,9-10,14-15H2,1-6H3/t25-,26+,27-,28+,29+/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.423n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

J Nat Prod 60: 842-3 (1997)


Article DOI: 10.1021/np9701236
BindingDB Entry DOI: 10.7270/Q2CR5TCC
More data for this
Ligand-Target Pair