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SMILES: CN1CCC[C@H]1COc1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=ZHZQMBCYDKNEHH-NSHDSACASA-N

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 3 hits for monomerid = 50203721   
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 subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50203721
PNG
(CHEMBL3908946)
Show SMILES CN1CCC[C@H]1COc1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C12H16N2O3/c1-13-7-3-5-11(13)9-17-12-6-2-4-10(8-12)14(15)16/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain membranes incubated for 60 mins


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50203721
PNG
(CHEMBL3908946)
Show SMILES CN1CCC[C@H]1COc1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C12H16N2O3/c1-13-7-3-5-11(13)9-17-12-6-2-4-10(8-12)14(15)16/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50203721
PNG
(CHEMBL3908946)
Show SMILES CN1CCC[C@H]1COc1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C12H16N2O3/c1-13-7-3-5-11(13)9-17-12-6-2-4-10(8-12)14(15)16/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
946n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubati...


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair