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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM19119'   
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))		BDBM19119
PNG
((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...)
Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](OC(C)=O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3|
Show InChI InChI=1S/C32H50N2O4/c1-18(2)29-33-27-13-10-21-14-22-24(12-11-23(21)30(27,5)17-37-29)31(6)16-26(38-20(4)35)28(19(3)34(8)9)32(31,7)15-25(22)36/h10,18-19,22-24,26-28H,11-17H2,1-9H3/t19-,22+,23+,24+,26+,27-,28-,30-,31-,32+/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



CNRS



Assay Description
Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...

J Med Chem 50: 5311-23 (2007)


Article DOI: 10.1021/jm070536w
BindingDB Entry DOI: 10.7270/Q22B8W82
More data for this
Ligand-Target Pair