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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50043064   
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))
BDBM50014210
PNG
(1-(1H-Indol-3-yl)-2-propanamine | 1-(1H-indol-3-yl...)
Show SMILES CC(N)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from human recombinant alpha4beta2 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counti...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Epibatidine from human recombinant alpha4beta2 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counti...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair