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SMILES: [H][C@]12Cc3c(O[C@]1(C)CC[C@@]1(O)C(C)(C)[C@H](O)CC[C@]21C)cc(oc3=O)-c1ccc(OC)cc1

InChI Key: InChIKey=GECAUTUYQKKNPV-XIVUVDIESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130208   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50130208
PNG
(CHEMBL3632854)
Show SMILES [H][C@]12Cc3c(O[C@]1(C)CC[C@@]1(O)C(C)(C)[C@H](O)CC[C@]21C)cc(oc3=O)-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C27H34O6/c1-24(2)22(28)10-11-25(3)21-14-18-20(33-26(21,4)12-13-27(24,25)30)15-19(32-23(18)29)16-6-8-17(31-5)9-7-16/h6-9,15,21-22,28,30H,10-14H2,1-5H3/t21-,22-,25-,26-,27-/m1/s1
PDB
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Similars
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Alchemical Research, LLC

Curated by ChEMBL


Assay Description
Inhibition of human AChE

Bioorg Med Chem Lett 25: 4848-53 (2015)


BindingDB Entry DOI: 10.7270/Q2668G1T
More data for this
Ligand-Target Pair