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1 similar compounds to monomer 50440561

Compile data set for download or QSAR
Wt: 234.2
BDBM50397924

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50397924   
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 subunit alpha-4


(Homo sapiens (Human))
BDBM50397924
PNG
(CHEMBL2179552)
Show SMILES Cc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
Show InChI InChI=1S/C13H18N2O2/c1-9-2-3-12(17-9)13(16)15-7-10-4-11(8-15)6-14-5-10/h2-3,10-11,14H,4-8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
42 -9.92n/an/an/an/an/an/a21



Targacept, Inc.

US Patent


Assay Description
The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=...


US Patent US8921410 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28PT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50397924
PNG
(CHEMBL2179552)
Show SMILES Cc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
Show InChI InChI=1S/C13H18N2O2/c1-9-2-3-12(17-9)13(16)15-7-10-4-11(8-15)6-14-5-10/h2-3,10-11,14H,4-8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
46n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay


J Med Chem 55: 9181-94 (2012)


Article DOI: 10.1021/jm3006542
BindingDB Entry DOI: 10.7270/Q2W0972W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50397924
PNG
(CHEMBL2179552)
Show SMILES Cc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
Show InChI InChI=1S/C13H18N2O2/c1-9-2-3-12(17-9)13(16)15-7-10-4-11(8-15)6-14-5-10/h2-3,10-11,14H,4-8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
100 -9.41n/an/an/an/an/an/a21



Targacept, Inc.

US Patent


Assay Description
The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=...


US Patent US8921410 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28PT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50397924
PNG
(CHEMBL2179552)
Show SMILES Cc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
Show InChI InChI=1S/C13H18N2O2/c1-9-2-3-12(17-9)13(16)15-7-10-4-11(8-15)6-14-5-10/h2-3,10-11,14H,4-8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 9181-94 (2012)


Article DOI: 10.1021/jm3006542
BindingDB Entry DOI: 10.7270/Q2W0972W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50397924
PNG
(CHEMBL2179552)
Show SMILES Cc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
Show InChI InChI=1S/C13H18N2O2/c1-9-2-3-12(17-9)13(16)15-7-10-4-11(8-15)6-14-5-10/h2-3,10-11,14H,4-8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.50E+3n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Partial agonist activity at alpha4beta2 nAChR in human SH-EP1 cells assessed as calcium flux by calcium4-based FLIPR assay


J Med Chem 55: 9181-94 (2012)


Article DOI: 10.1021/jm3006542
BindingDB Entry DOI: 10.7270/Q2W0972W
More data for this
Ligand-Target Pair