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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for UniProtKB: Q9ERK7   
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


(Mus musculus)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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KEGG
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PC sid
PDB
UniChem

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Article
PubMed
n/an/an/an/a 720n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at mouse neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293T 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
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Mus musculus)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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UniProtKB/SwissProt

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KEGG
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PubMed
n/an/an/an/a 724n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at mouse neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293T 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
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Mus musculus)
BDBM50275263
PNG
(3-(dimethylamino) butyl pyrrolidine-1-carboxylate ...)
Show SMILES CC(CCOC(=O)N1CCCC1)N(C)C
Show InChI InChI=1S/C11H22N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h10H,4-9H2,1-3H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
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Article
PubMed
n/an/an/an/a 7.10E+3n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at mouse neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293T 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-4/beta-2


(Mus musculus)
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

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.77E+3n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at mouse neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293T 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-4/beta-2


(Mus musculus)
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at mouse neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293T 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