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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50284042'   
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


(Rattus norvegicus (rat))
BDBM50284042
PNG
(2-(1-{2-[(5-Piperidin-1-ylmethyl-furan-2-ylmethyl)...)
Show SMILES [#6]-c1ccc(cc1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-[#6]-c2ccc(-[#6]-[#7]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)o2)\[#6]-1=[#6](/C#N)C#N
Show InChI InChI=1S/C26H32N6O/c1-21-5-7-23(8-6-21)32-16-15-31(26(32)22(17-27)18-28)14-11-29-19-24-9-10-25(33-24)20-30-12-3-2-4-13-30/h5-10,29H,2-4,11-16,19-20H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against acetylcholinesterase(AChE) from rat brain was determined


Bioorg Med Chem Lett 4: 615-618 (1994)


Article DOI: 10.1016/S0960-894X(01)80165-7
BindingDB Entry DOI: 10.7270/Q2FN1659
More data for this
Ligand-Target Pair