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SMILES: C[C@@H]([C@H]1[C@@H](C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](NC(=O)c5ccccc5)C=C[C@]4(O)CC3=CC[C@]12C)OC(C)=O)N(C)C

InChI Key: InChIKey=SQULXMOMDPJQNT-QCFSPYGNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50335590   
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))		BDBM50335590
PNG
(CHEMBL1651040 | buxalongifolamidine)
Show SMILES C[C@@H]([C@H]1[C@@H](C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](NC(=O)c5ccccc5)C=C[C@]4(O)CC3=CC[C@]12C)OC(C)=O)N(C)C |r,c:26,33|
Show InChI InChI=1S/C35H50N2O5/c1-22(37(6)7)30-27(42-23(2)39)20-34(5)26-13-14-28-32(3,21-38)29(36-31(40)24-11-9-8-10-12-24)16-18-35(28,41)19-25(26)15-17-33(30,34)4/h8-12,15-16,18,22,26-30,38,41H,13-14,17,19-21H2,1-7H3,(H,36,40)/t22-,26+,27+,28-,29-,30-,32-,33+,34-,35-/m0/s1
PDB
MMDB

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Similars
Article
PubMed
n/an/a 3.02E+4n/an/an/an/an/an/a



The University of Winnipeg

Curated by ChEMBL


Assay Description
Inhibition of AChE by Ellman's method

J Nat Prod 73: 1858-62 (2010)


Article DOI: 10.1021/np100494u
BindingDB Entry DOI: 10.7270/Q2TM7BC0
More data for this
Ligand-Target Pair