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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50006634   
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))
BDBM50006634
PNG
(CHEMBL3235510)
Show SMILES C1CC2N(C1)CCc1cc3OCOc3cc21
Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
500n/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-2


(Rattus norvegicus (Rat))
BDBM50006634
PNG
(CHEMBL3235510)
Show SMILES C1CC2N(C1)CCc1cc3OCOc3cc21
Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
550n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4


(Rattus norvegicus (Rat))
BDBM50006634
PNG
(CHEMBL3235510)
Show SMILES C1CC2N(C1)CCc1cc3OCOc3cc21
Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.30E+3n/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-4/beta-4


(Rattus norvegicus (Rat))
BDBM50006634
PNG
(CHEMBL3235510)
Show SMILES C1CC2N(C1)CCc1cc3OCOc3cc21
Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50006634
PNG
(CHEMBL3235510)
Show SMILES C1CC2N(C1)CCc1cc3OCOc3cc21
Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50006634
PNG
(CHEMBL3235510)
Show SMILES C1CC2N(C1)CCc1cc3OCOc3cc21
Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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 alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair