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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50270404   
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-4/beta-2


(Rattus norvegicus (Rat))
BDBM50270404
PNG
(CHEMBL4097292)
Show SMILES COc1ccc2C3CCCN3CCc2c1
Show InChI InChI=1S/C13H17NO/c1-15-11-4-5-12-10(9-11)6-8-14-7-2-3-13(12)14/h4-5,9,13H,2-3,6-8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.50E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4


(Rattus norvegicus (Rat))
BDBM50270404
PNG
(CHEMBL4097292)
Show SMILES COc1ccc2C3CCCN3CCc2c1
Show InChI InChI=1S/C13H17NO/c1-15-11-4-5-12-10(9-11)6-8-14-7-2-3-13(12)14/h4-5,9,13H,2-3,6-8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50270404
PNG
(CHEMBL4097292)
Show SMILES COc1ccc2C3CCCN3CCc2c1
Show InChI InChI=1S/C13H17NO/c1-15-11-4-5-12-10(9-11)6-8-14-7-2-3-13(12)14/h4-5,9,13H,2-3,6-8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair