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SMILES: CC1(C)CC1C(=O)N1CC2CC(C1)N2

InChI Key: InChIKey=LJEPPQATHWQMBV-UHFFFAOYSA-N

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 5 hits for monomerid = 50498053   
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/beta-2


(Homo sapiens (Human))
BDBM50498053
PNG
(CHEMBL3329545)
Show SMILES CC1(C)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13|
Show InChI InChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H] nicotine from human alpha4beta2 nAChR transfected in SH-EP1 cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498053
PNG
(CHEMBL3329545)
Show SMILES CC1(C)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13|
Show InChI InChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50498053
PNG
(CHEMBL3329545)
Show SMILES CC1(C)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13|
Show InChI InChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.70E+3n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR low sensitivity isoform transfected in SH-EP1 cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498053
PNG
(CHEMBL3329545)
Show SMILES CC1(C)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13|
Show InChI InChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 540n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50498053
PNG
(CHEMBL3329545)
Show SMILES CC1(C)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13|
Show InChI InChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR transfected in SH-EP1 cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair