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BDBM50352788 CHEMBL1823384

SMILES: Cc1cc(on1)[C@@]1(O)CCC[C@@H]2CC[C@H]1N2

InChI Key: InChIKey=WSVQLAYQNDPDAM-CKYFFXLPSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50352788   
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
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352788
PNG
(CHEMBL1823384)
Show SMILES Cc1cc(on1)[C@@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|
Show InChI InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12-/m1/s1
PDB

UniProtKB/SwissProt

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



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50352788
PNG
(CHEMBL1823384)
Show SMILES Cc1cc(on1)[C@@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|
Show InChI InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAchR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair