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BDBM50352785 CHEMBL1823381

SMILES: CC(C)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2

InChI Key: InChIKey=VGBDXHHMMFYQNT-ZYHUDNBSSA-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 = 50352785   
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))
BDBM50352785
PNG
(CHEMBL1823381)
Show SMILES CC(C)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:9|
Show InChI InChI=1S/C14H20N2O/c1-9(2)13-8-14(17-16-13)11-5-3-4-10-6-7-12(11)15-10/h5,8-10,12,15H,3-4,6-7H2,1-2H3/t10-,12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+3n/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))
BDBM50352785
PNG
(CHEMBL1823381)
Show SMILES CC(C)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:9|
Show InChI InChI=1S/C14H20N2O/c1-9(2)13-8-14(17-16-13)11-5-3-4-10-6-7-12(11)15-10/h5,8-10,12,15H,3-4,6-7H2,1-2H3/t10-,12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.51E+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