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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50190741'   
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))
BDBM50190741
PNG
(2-((1-(pyridin-2-ylcarbamoyl)cyclopentyl)methyl)pe...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1ccccn1)C(O)=O
Show InChI InChI=1S/C17H24N2O3/c1-2-7-13(15(20)21)12-17(9-4-5-10-17)16(22)19-14-8-3-6-11-18-14/h3,6,8,11,13H,2,4-5,7,9-10,12H2,1H3,(H,20,21)(H,18,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog ACE


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair