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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50304328'   
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))
BDBM50304328
PNG
(13-Ethylidene-11-methyl-1-[2-[1-phenyl-methylidene...)
Show SMILES CCCCC\C(\C=N\[C@@]12CC(C)=C[C@@H](Cc3[nH]c(=O)ccc13)\C2=C/C)=C/c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-4-6-8-13-23(17-22-11-9-7-10-12-22)20-30-29-19-21(3)16-24(25(29)5-2)18-27-26(29)14-15-28(32)31-27/h5,7,9-12,14-17,20,24H,4,6,8,13,18-19H2,1-3H3,(H,31,32)/b23-17+,25-5+,30-20+/t24-,29+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human AChE by Ellman's method


Bioorg Med Chem 17: 6937-41 (2009)


Article DOI: 10.1016/j.bmc.2009.08.017
BindingDB Entry DOI: 10.7270/Q2J966GQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304328
PNG
(13-Ethylidene-11-methyl-1-[2-[1-phenyl-methylidene...)
Show SMILES CCCCC\C(\C=N\[C@@]12CC(C)=C[C@@H](Cc3[nH]c(=O)ccc13)\C2=C/C)=C/c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-4-6-8-13-23(17-22-11-9-7-10-12-22)20-30-29-19-21(3)16-24(25(29)5-2)18-27-26(29)14-15-28(32)31-27/h5,7,9-12,14-17,20,24H,4,6,8,13,18-19H2,1-3H3,(H,31,32)/b23-17+,25-5+,30-20+/t24-,29+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 796n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Bioorg Med Chem 17: 6937-41 (2009)


Article DOI: 10.1016/j.bmc.2009.08.017
BindingDB Entry DOI: 10.7270/Q2J966GQ
More data for this
Ligand-Target Pair