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SMILES: [H][C@@](C)(N(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4[C@@H](O)[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NC(=O)C(\C)=C\C

InChI Key: InChIKey=VLFYYOVMWNJQBE-KFRXLHHWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50421635   
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))		BDBM50421635
PNG
(CHEMBL2368067)
Show SMILES [H][C@@](C)(N(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4[C@@H](O)[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NC(=O)C(\C)=C\C |t:15|
Show InChI InChI=1S/C28H46N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,18-22,24-25,31H,9,11-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,24-,25+,27+,28+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a 3.02E+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