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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-3/beta-4' and Ligand = 'BDBM50498756'   
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
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50498756
PNG
(CHEMBL3622596)
Show SMILES CN(C)C1CCN(C1)C(=O)N(C)C
Show InChI InChI=1S/C9H19N3O/c1-10(2)8-5-6-12(7-8)9(13)11(3)4/h8H,5-7H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.40E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cell membranes incubated for 4 hrs b...


Eur J Med Chem 102: 352-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.029
BindingDB Entry DOI: 10.7270/Q2668H6G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50498756
PNG
(CHEMBL3622596)
Show SMILES CN(C)C1CCN(C1)C(=O)N(C)C
Show InChI InChI=1S/C9H19N3O/c1-10(2)8-5-6-12(7-8)9(13)11(3)4/h8H,5-7H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.46E+3n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cell membranes incubated for 4 hrs b...


Eur J Med Chem 102: 352-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.029
BindingDB Entry DOI: 10.7270/Q2668H6G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50498756
PNG
(CHEMBL3622596)
Show SMILES CN(C)C1CCN(C1)C(=O)N(C)C
Show InChI InChI=1S/C9H19N3O/c1-10(2)8-5-6-12(7-8)9(13)11(3)4/h8H,5-7H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.24E+4n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cells by FMP assay


Eur J Med Chem 102: 352-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.029
BindingDB Entry DOI: 10.7270/Q2668H6G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50498756
PNG
(CHEMBL3622596)
Show SMILES CN(C)C1CCN(C1)C(=O)N(C)C
Show InChI InChI=1S/C9H19N3O/c1-10(2)8-5-6-12(7-8)9(13)11(3)4/h8H,5-7H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20E+4n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cells by FMP assay


Eur J Med Chem 102: 352-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.029
BindingDB Entry DOI: 10.7270/Q2668H6G
More data for this
Ligand-Target Pair