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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine Binding protein' and Ligand = 'BDBM50119572'   
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)
BDBM50119572
PNG
(CHEMBL142049 | Dimethyl-(2-pyridin-3-yl-ethyl)-ami...)
Show SMILES CN(C)CCc1cccnc1
Show InChI InChI=1S/C9H14N2/c1-11(2)7-5-9-4-3-6-10-8-9/h3-4,6,8H,5,7H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50119572
PNG
(CHEMBL142049 | Dimethyl-(2-pyridin-3-yl-ethyl)-ami...)
Show SMILES CN(C)CCc1cccnc1
Show InChI InChI=1S/C9H14N2/c1-11(2)7-5-9-4-3-6-10-8-9/h3-4,6,8H,5,7H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 4.25E+3n/an/an/a7.425



Beactica AB



Assay Description
Interaction assay using AChBP.


Biochemistry 49: 8143-54 (2010)


Article DOI: 10.1021/bi1006354
BindingDB Entry DOI: 10.7270/Q2TB15HP
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50119572
PNG
(CHEMBL142049 | Dimethyl-(2-pyridin-3-yl-ethyl)-ami...)
Show SMILES CN(C)CCc1cccnc1
Show InChI InChI=1S/C9H14N2/c1-11(2)7-5-9-4-3-6-10-8-9/h3-4,6,8H,5,7H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 6.03E+3n/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair