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BDBM50446486 CHEMBL3110038

SMILES: NC1=NC[C@H](CCCCN2C[C@@H](CC3CCCCC3)N(CCc3cccc(Br)c3)C2=N)N1CCc1cccc(F)c1

InChI Key: InChIKey=AAPZSPRLZTTYLQ-IOWSJCHKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446486   
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))		BDBM50446486
PNG
(CHEMBL3110038)
Show SMILES NC1=NC[C@H](CCCCN2C[C@@H](CC3CCCCC3)N(CCc3cccc(Br)c3)C2=N)N1CCc1cccc(F)c1 |r,t:1|
Show InChI InChI=1S/C33H46BrFN6/c34-28-12-6-10-26(20-28)16-19-41-31(22-25-8-2-1-3-9-25)24-39(33(41)37)17-5-4-14-30-23-38-32(36)40(30)18-15-27-11-7-13-29(35)21-27/h6-7,10-13,20-21,25,30-31,37H,1-5,8-9,14-19,22-24H2,(H2,36,38)/t30-,31+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.01E+4n/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