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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine Binding protein' and Ligand = 'BDBM50419742'   
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
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419742
PNG
(CHEMBL1947055)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H28NO2/c1-24(15-14-18-8-4-2-5-9-18)20-12-13-21(24)17-22(16-20)26-23(25)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3/q+1/t20-,21+,22+,24?
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
31.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50419742
PNG
(CHEMBL1947055)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H28NO2/c1-24(15-14-18-8-4-2-5-9-18)20-12-13-21(24)17-22(16-20)26-23(25)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3/q+1/t20-,21+,22+,24?
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
158n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair