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BDBM50446498 CHEMBL3110026

SMILES: NC1=NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Br)cc3)C2=N)N1CCc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=QSPIBHHBZOXRSN-JHOUSYSJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446498   
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))		BDBM50446498
PNG
(CHEMBL3110026)
Show SMILES NC1=NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Br)cc3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C37H41BrCl2N6/c38-31-13-9-26(10-14-31)16-20-46-33(22-28-8-12-29-5-1-2-6-30(29)21-28)25-44(37(46)42)18-4-3-7-32-24-43-36(41)45(32)19-17-27-11-15-34(39)35(40)23-27/h1-2,5-6,8-15,21,23,32-33,42H,3-4,7,16-20,22,24-25H2,(H2,41,43)/t32-,33+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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UniChem

Similars
Article
PubMed
 4.00E+3n/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