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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50069245   
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...)
BDBM50069245
PNG
(CHEMBL157336 | N-[12-(Adamantan-1-ylamino)-dodecyl...)
Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:33:24:31:28.27.29,THB:33:28:24.25.32:31,23:24:31:28.27.29,29:28:25:30.32.31,29:30:25:28.33.27|
Show InChI InChI=1S/C32H53N3O/c1-35(2)30-15-13-26(14-16-30)22-31(36)33-17-11-9-7-5-3-4-6-8-10-12-18-34-32-23-27-19-28(24-32)21-29(20-27)25-32/h13-16,27-29,34H,3-12,17-25H2,1-2H3,(H,33,36)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Istituto di Strutturistica Chimica G. Giacomello

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brain


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


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