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BDBM50164612 (2R)-3'-thien-2-yl-2'H-spiro[4-azabicyclo[2.2.2]octane-2,5'-[1,3]oxazolidin]-2'-one::CHEMBL362962

SMILES: O=C1O[C@@]2(CN1c1cccs1)CN1CCC2CC1

InChI Key: InChIKey=SRKWHAJRJDBXCG-CYBMUJFWSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50164612   
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))
BDBM50164612
PNG
((2R)-3'-thien-2-yl-2'H-spiro[4-azabicyclo[2.2.2]oc...)
Show SMILES O=C1O[C@@]2(CN1c1cccs1)CN1CCC2CC1 |wU:3.2,(.41,3.64,;-.55,2.43,;-2.08,2.46,;-2.61,1.01,;-1.4,.06,;-.11,.95,;1.43,.96,;1.9,-.5,;3.45,-.5,;3.93,.96,;2.68,1.87,;-2.61,-.54,;-3.95,-1.3,;-3.46,-.05,;-4.58,.6,;-3.95,1.79,;-5.28,1.01,;-5.28,-.54,)|
Show InChI InChI=1S/C13H16N2O2S/c16-12-15(11-2-1-7-18-11)9-13(17-12)8-14-5-3-10(13)4-6-14/h1-2,7,10H,3-6,8-9H2/t13-/m1/s1
PDB

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Article
PubMed
80n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50164612
PNG
((2R)-3'-thien-2-yl-2'H-spiro[4-azabicyclo[2.2.2]oc...)
Show SMILES O=C1O[C@@]2(CN1c1cccs1)CN1CCC2CC1 |wU:3.2,(.41,3.64,;-.55,2.43,;-2.08,2.46,;-2.61,1.01,;-1.4,.06,;-.11,.95,;1.43,.96,;1.9,-.5,;3.45,-.5,;3.93,.96,;2.68,1.87,;-2.61,-.54,;-3.95,-1.3,;-3.46,-.05,;-4.58,.6,;-3.95,1.79,;-5.28,1.01,;-5.28,-.54,)|
Show InChI InChI=1S/C13H16N2O2S/c16-12-15(11-2-1-7-18-11)9-13(17-12)8-14-5-3-10(13)4-6-14/h1-2,7,10H,3-6,8-9H2/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
80n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair