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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50590867'   
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))
BDBM50590867
PNG
(CHEMBL5201804)
Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50590867
PNG
(CHEMBL5201804)
Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK
More data for this
Ligand-Target Pair