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BDBM50446485 CHEMBL3110039

SMILES: CCCCCCCN1[C@@H](CCCCN2C[C@@H](Cc3ccccc3)N(CCc3cccc(Br)c3)C2=N)CN=C1N

InChI Key: InChIKey=KJWRUZWDWGKWLC-XZWHSSHBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446485   
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))		BDBM50446485
PNG
(CHEMBL3110039)
Show SMILES CCCCCCCN1[C@@H](CCCCN2C[C@@H](Cc3ccccc3)N(CCc3cccc(Br)c3)C2=N)CN=C1N |r,c:39|
Show InChI InChI=1S/C32H47BrN6/c1-2-3-4-5-10-20-38-29(24-36-31(38)34)17-9-11-19-37-25-30(23-26-13-7-6-8-14-26)39(32(37)35)21-18-27-15-12-16-28(33)22-27/h6-8,12-16,22,29-30,35H,2-5,9-11,17-21,23-25H2,1H3,(H2,34,36)/t29-,30+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.44E+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