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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50069247   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM50069247
PNG
(CHEMBL157429 | N-[9-(Adamantan-1-ylamino)-nonyl]-2...)
Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:30:21:28:25.24.26,THB:30:25:21.22.29:28,20:21:28:25.24.26,26:25:22:27.29.28,26:27:22:25.30.24|
Show InChI InChI=1S/C29H47N3O/c1-32(2)27-12-10-23(11-13-27)19-28(33)30-14-8-6-4-3-5-7-9-15-31-29-20-24-16-25(21-29)18-26(17-24)22-29/h10-13,24-26,31H,3-9,14-22H2,1-2H3,(H,30,33)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 3.40E+3n/an/an/an/an/an/an/an/a



Istituto di Strutturistica Chimica G. Giacomello

Curated by ChEMBL


Assay Description
Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica

Bioorg Med Chem Lett 8: 575-80 (1999)


BindingDB Entry DOI: 10.7270/Q2S181N2
More data for this
Ligand-Target Pair