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BDBM50113648 CHEMBL290113::Huperzine Analogue

SMILES: CC1=CC2Cc3[nH]c(=O)ccc3C3(C1)NCCC(C)=C23

InChI Key: InChIKey=OBAHRUDJHVVJQM-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113648   
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


(Bos taurus (bovine))		BDBM50113648
PNG
(CHEMBL290113 | Huperzine Analogue)
Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3C3(C1)NCCC(C)=C23 |t:1,20,TLB:6:5:19:2.1.13,THB:10:11:19:2.1.13|
Show InChI InChI=1S/C17H20N2O/c1-10-7-12-8-14-13(3-4-15(20)19-14)17(9-10)16(12)11(2)5-6-18-17/h3-4,7,12,18H,5-6,8-9H2,1-2H3,(H,19,20)
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Similars
PubMed
 2.05E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibitory constant against fetal bovine serum (FBS) acetylcholinesterase

Bioorg Med Chem Lett 12: 1521-3 (2002)


BindingDB Entry DOI: 10.7270/Q2FX79ZW
More data for this
Ligand-Target Pair