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SMILES: CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1

InChI Key: InChIKey=ODQOCJVSQCAFKC-GSTPBQSSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50421634   
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))		BDBM50421634
PNG
(CHEMBL137721)
Show SMILES CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 |t:13|
Show InChI InChI=1S/C24H42N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h9,16-19,21-22,25H,7-8,10-15H2,1-6H3/t16-,17-,18-,19-,21-,22-,23-,24+/m0/s1
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KEGG

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PC cid
PC sid
UniChem
PubMed
n/an/a 2.04E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Compound was tested for the in silico inhibition of acetylcholinesterase

Bioorg Med Chem Lett 13: 4375-80 (2003)


BindingDB Entry DOI: 10.7270/Q29C6ZQG
More data for this
Ligand-Target Pair