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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50389382   
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))
BDBM50389382
PNG
(CHEMBL2064465)
Show SMILES CCN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C30H45N5O/c1-2-34(24-10-4-3-5-11-24)18-16-29(36)35-22-20-33(21-23-35)19-17-31-30-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)30/h6,8,12,14,24H,2-5,7,9-11,13,15-23H2,1H3,(H,31,32)
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PC cid
PC sid
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Similars

Article
PubMed
1.35n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated fo...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50389382
PNG
(CHEMBL2064465)
Show SMILES CCN(CCC(=O)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1)C1CCCCC1
Show InChI InChI=1S/C30H45N5O/c1-2-34(24-10-4-3-5-11-24)18-16-29(36)35-22-20-33(21-23-35)19-17-31-30-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)30/h6,8,12,14,24H,2-5,7,9-11,13,15-23H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.73n/an/an/an/an/an/an/an/a



P. J. Safarik University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate prein...


Eur J Med Chem 55: 23-31 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.051
BindingDB Entry DOI: 10.7270/Q2HH6M4Z
More data for this
Ligand-Target Pair