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BDBM50256281 (2S,2'R-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)pyrrolidine hydrochloride::CHEMBL480686

SMILES: C1CN[C@H](C1)[C@H]1COc2ccccc2O1

InChI Key: InChIKey=BEVPGWLTKJHBHS-BXKDBHETSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50256281   
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


(Rattus norvegicus (Rat))
BDBM50256281
PNG
((2S,2'R-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)pyr...)
Show SMILES C1CN[C@H](C1)[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C12H15NO2/c1-2-6-11-10(5-1)14-8-12(15-11)9-4-3-7-13-9/h1-2,5-6,9,12-13H,3-4,7-8H2/t9-,12-/m1/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
1.47E+4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [125I]alphaBungarotoxin from alpha7 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50256281
PNG
((2S,2'R-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)pyr...)
Show SMILES C1CN[C@H](C1)[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C12H15NO2/c1-2-6-11-10(5-1)14-8-12(15-11)9-4-3-7-13-9/h1-2,5-6,9,12-13H,3-4,7-8H2/t9-,12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.80E+4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair