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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50328009'   
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))
BDBM50328009
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-benzylaminopyridi...)
Show SMILES C(Nc1cncc(OC[C@@H]2CCCN2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C17H21N3O/c1-2-5-14(6-3-1)10-20-16-9-17(12-18-11-16)21-13-15-7-4-8-19-15/h1-3,5-6,9,11-12,15,19-20H,4,7-8,10,13H2/t15-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 91n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328009
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-benzylaminopyridi...)
Show SMILES C(Nc1cncc(OC[C@@H]2CCCN2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C17H21N3O/c1-2-5-14(6-3-1)10-20-16-9-17(12-18-11-16)21-13-15-7-4-8-19-15/h1-3,5-6,9,11-12,15,19-20H,4,7-8,10,13H2/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair