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SMILES: O=C(NCc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2

InChI Key: InChIKey=QQNNXZCVTLITFZ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50515323   
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-7


(Rattus norvegicus (Rat))
BDBM50515323
PNG
(CHEMBL4472986)
Show SMILES O=C(NCc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19|
Show InChI InChI=1S/C18H20N4O/c23-18(20-8-13-4-2-1-3-5-13)14-6-17(10-19-9-14)22-11-15-7-16(12-22)21-15/h1-6,9-10,15-16,21H,7-8,11-12H2,(H,20,23)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.07E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7nAChR in rat hippocampus membrane


Eur J Med Chem 180: 51-61 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.079
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50515323
PNG
(CHEMBL4472986)
Show SMILES O=C(NCc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19|
Show InChI InChI=1S/C18H20N4O/c23-18(20-8-13-4-2-1-3-5-13)14-6-17(10-19-9-14)22-11-15-7-16(12-22)21-15/h1-6,9-10,15-16,21H,7-8,11-12H2,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane


Eur J Med Chem 180: 51-61 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.079
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50515323
PNG
(CHEMBL4472986)
Show SMILES O=C(NCc1ccccc1)c1cncc(c1)N1CC2CC(C1)N2 |TLB:14:16:22:19|
Show InChI InChI=1S/C18H20N4O/c23-18(20-8-13-4-2-1-3-5-13)14-6-17(10-19-9-14)22-11-15-7-16(12-22)21-15/h1-6,9-10,15-16,21H,7-8,11-12H2,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane


Eur J Med Chem 180: 51-61 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.079
More data for this
Ligand-Target Pair