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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50289097'   
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


(Homo sapiens (Human))
BDBM50289097
PNG
(6,7,8,9,10,11,12,13-Octahydro-5,12a-diaza-cyclonon...)
Show SMILES C1N2CCCCCCCC2=Nc2ccccc12 |c:10|
Show InChI InChI=1S/C15H20N2/c1-2-4-10-15-16-14-9-6-5-8-13(14)12-17(15)11-7-3-1/h5-6,8-9H,1-4,7,10-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.35E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase in human RBC


Bioorg Med Chem Lett 6: 737-742 (1996)


Article DOI: 10.1016/0960-894X(96)00102-3
BindingDB Entry DOI: 10.7270/Q2736RDK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50289097
PNG
(6,7,8,9,10,11,12,13-Octahydro-5,12a-diaza-cyclonon...)
Show SMILES C1N2CCCCCCCC2=Nc2ccccc12 |c:10|
Show InChI InChI=1S/C15H20N2/c1-2-4-10-15-16-14-9-6-5-8-13(14)12-17(15)11-7-3-1/h5-6,8-9H,1-4,7,10-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase in rat brain


Bioorg Med Chem Lett 6: 737-742 (1996)


Article DOI: 10.1016/0960-894X(96)00102-3
BindingDB Entry DOI: 10.7270/Q2736RDK
More data for this
Ligand-Target Pair