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BDBM50155639 Acetaldehyde O-((S)-1-methyl-pyrrolidin-2-ylmethyl)-oxime::CHEMBL185124

SMILES: C\C=N/OC[C@@H]1CCCN1C

InChI Key: InChIKey=QTLXSRJGECVFKB-CLJBBPMWSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50155639   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50155639
PNG
(Acetaldehyde O-((S)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES C\C=N/OC[C@@H]1CCCN1C
Show InChI InChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/b9-3-/t8-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
330n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50155639
PNG
(Acetaldehyde O-((S)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES C\C=N/OC[C@@H]1CCCN1C
Show InChI InChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/b9-3-/t8-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
330n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membranes by beta counting


Eur J Med Chem 45: 5594-601 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.009
BindingDB Entry DOI: 10.7270/Q2BC3ZSJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50155639
PNG
(Acetaldehyde O-((S)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES C\C=N/OC[C@@H]1CCCN1C
Show InChI InChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/b9-3-/t8-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-Bungarotoxin from alpha7 nAChR rat cortical membranes by gamma counting


Eur J Med Chem 45: 5594-601 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.009
BindingDB Entry DOI: 10.7270/Q2BC3ZSJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50155639
PNG
(Acetaldehyde O-((S)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES C\C=N/OC[C@@H]1CCCN1C
Show InChI InChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/b9-3-/t8-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair