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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 = 'BDBM50417099'   
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)
BDBM50417099
PNG
(CHEMBL1255823)
Show SMILES Brc1ccc(NC(=O)OCCCc2cccnc2)cc1
Show InChI InChI=1S/C15H15BrN2O2/c16-13-5-7-14(8-6-13)18-15(19)20-10-2-4-12-3-1-9-17-11-12/h1,3,5-9,11H,2,4,10H2,(H,18,19)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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)
BDBM50417099
PNG
(CHEMBL1255823)
Show SMILES Brc1ccc(NC(=O)OCCCc2cccnc2)cc1
Show InChI InChI=1S/C15H15BrN2O2/c16-13-5-7-14(8-6-13)18-15(19)20-10-2-4-12-3-1-9-17-11-12/h1,3,5-9,11H,2,4,10H2,(H,18,19)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.01E+4n/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