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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50259713   
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


(Homo sapiens (Human))
BDBM50259713
PNG
(CHEMBL4095303)
Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ncccc2O1 |r|
Show InChI InChI=1S/C12H16N2O2/c1-14-7-3-4-9(14)11-8-15-12-10(16-11)5-2-6-13-12/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-,11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
114n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-epibatidine from wild type human alpha4beta2 nAChR transfected in human Hela cell membranes preincubated for 5 mins followed by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50259713
PNG
(CHEMBL4095303)
Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ncccc2O1 |r|
Show InChI InChI=1S/C12H16N2O2/c1-14-7-3-4-9(14)11-8-15-12-10(16-11)5-2-6-13-12/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-,11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
410n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane preincubated for 5 mins followed by [3H]-Epibatidine addition...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50259713
PNG
(CHEMBL4095303)
Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ncccc2O1 |r|
Show InChI InChI=1S/C12H16N2O2/c1-14-7-3-4-9(14)11-8-15-12-10(16-11)5-2-6-13-12/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-,11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.62E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cells pretreated for 5 mins followed by [3H]epibatidine addition aft...


Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
BindingDB Entry DOI: 10.7270/Q2PZ5C8H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50259713
PNG
(CHEMBL4095303)
Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ncccc2O1 |r|
Show InChI InChI=1S/C12H16N2O2/c1-14-7-3-4-9(14)11-8-15-12-10(16-11)5-2-6-13-12/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-,11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.62E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 transfected in HEK293 cell membranes preincubated for 5 mins followed by [3H]-epibatidine add...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50259713
PNG
(CHEMBL4095303)
Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ncccc2O1 |r|
Show InChI InChI=1S/C12H16N2O2/c1-14-7-3-4-9(14)11-8-15-12-10(16-11)5-2-6-13-12/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-,11-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.90E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7nAChR in rat hippocampus membranes preincubated for 5 mins followed by [125I]alpha-bungarotoxin a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01150
BindingDB Entry DOI: 10.7270/Q2K93C4G
More data for this
Ligand-Target Pair