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BDBM50437484 CHEMBL2409495

SMILES: CC(=O)N1CC2CNCC(C2)C1

InChI Key: InChIKey=KZGXXLRPBQODHL-UHFFFAOYSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50437484   
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 Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50437484
PNG
(CHEMBL2409495)
Show SMILES CC(=O)N1CC2CNCC(C2)C1
Show InChI InChI=1S/C9H16N2O/c1-7(12)11-5-8-2-9(6-11)4-10-3-8/h8-10H,2-6H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 3927-34 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.058
BindingDB Entry DOI: 10.7270/Q279462S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50437484
PNG
(CHEMBL2409495)
Show SMILES CC(=O)N1CC2CNCC(C2)C1
Show InChI InChI=1S/C9H16N2O/c1-7(12)11-5-8-2-9(6-11)4-10-3-8/h8-10H,2-6H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from human alpha7 nACHR expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 3927-34 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.058
BindingDB Entry DOI: 10.7270/Q279462S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50437484
PNG
(CHEMBL2409495)
Show SMILES CC(=O)N1CC2CNCC(C2)C1
Show InChI InChI=1S/C9H16N2O/c1-7(12)11-5-8-2-9(6-11)4-10-3-8/h8-10H,2-6H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.90E+3n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at alpha4beta2 nACHR in human SHEP1 cell membranes assessed as stimulation of calcium flux by FLIPR assay


Bioorg Med Chem Lett 23: 3927-34 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.058
BindingDB Entry DOI: 10.7270/Q279462S
More data for this
Ligand-Target Pair