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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50050689'   
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


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50050689
PNG
(CHEMBL3311543)
Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCN(CC)CC)[C@@]1(C)CCCC2(C)C |r,t:3|
Show InChI InChI=1S/C27H49NO3/c1-7-28(8-2)17-10-18-31-25(30)19-21(3)11-13-23-22(20-29)12-14-24-26(4,5)15-9-16-27(23,24)6/h12,21,23-24,29H,7-11,13-20H2,1-6H3/t21-,23-,24-,27+/m0/s1
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Article
PubMed
n/an/a 1.18E+4n/an/an/an/an/an/a



Universidad Nacional del Sur

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method

Bioorg Med Chem 22: 3838-49 (2014)


Article DOI: 10.1016/j.bmc.2014.06.030
BindingDB Entry DOI: 10.7270/Q2VT1TQC
More data for this
Ligand-Target Pair