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BDBM50446497 CHEMBL3110027

SMILES: NC1=NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=LZKCQRVREPOZNT-IOWSJCHKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446497   
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 Alpha-3/Beta-4


(Rattus norvegicus (Rat))		BDBM50446497
PNG
(CHEMBL3110027)
Show SMILES NC1=NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C37H40Cl4N6/c38-32-12-9-25(21-34(32)40)14-17-46-30(23-44-36(46)42)7-3-4-16-45-24-31(20-27-8-11-28-5-1-2-6-29(28)19-27)47(37(45)43)18-15-26-10-13-33(39)35(41)22-26/h1-2,5-6,8-13,19,21-22,30-31,43H,3-4,7,14-18,20,23-24H2,(H2,42,44)/t30-,31+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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UniChem

Similars
Article
PubMed
 3.47E+5n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis

J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair