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SMILES: CC[C@@H]1CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C[C@H]1C2C(=O)OC)c1ccc2c3CCN4C[C@@H]5C[C@H](CC)[C@H]4[C@@H](C5)c3[nH]c2c1

InChI Key: InChIKey=VFOGOXRSGPCZGG-QPFJEDRLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50380807   
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))		BDBM50380807
PNG
(CHEMBL376478)
Show SMILES CC[C@@H]1CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C[C@H]1C2C(=O)OC)c1ccc2c3CCN4C[C@@H]5C[C@H](CC)[C@H]4[C@@H](C5)c3[nH]c2c1 |r,TLB:43:42:39:41.34.33,28:29:39:41.34.33|
Show InChI InChI=1S/C40H50N4O2/c1-5-23-15-22-16-32-37-28(13-14-44(20-22)39(23)32)27-12-11-25(17-34(27)42-37)30-18-29-24(6-2)21-43(3)35(36(29)40(45)46-4)19-31-26-9-7-8-10-33(26)41-38(30)31/h7-12,17,22-24,29-30,32,35-36,39,41-42H,5-6,13-16,18-21H2,1-4H3/t22-,23+,24-,29-,30+,32+,35-,36?,39+/m1/s1
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PC cid
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Similars
Article
PubMed
n/an/a 227n/an/an/an/an/an/a



Naresuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE by Ellman's method

Bioorg Med Chem Lett 22: 2885-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.057
BindingDB Entry DOI: 10.7270/Q2251K5M
More data for this
Ligand-Target Pair