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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50069246'   
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...)		BDBM50069246
PNG
(CHEMBL152361 | N-[7-(Adamantan-1-ylamino)-heptyl]-...)
Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:28:19:26:23.22.24,THB:28:23:19.20.27:26,18:19:26:23.22.24,24:23:20:25.27.26,24:25:20:23.28.22|
Show InChI InChI=1S/C27H43N3O/c1-30(2)25-10-8-21(9-11-25)17-26(31)28-12-6-4-3-5-7-13-29-27-18-22-14-23(19-27)16-24(15-22)20-27/h8-11,22-24,29H,3-7,12-20H2,1-2H3,(H,28,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars
PubMed
 7.00E+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