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BDBM50446483 CHEMBL3110041

SMILES: CC(C)CCCN1[C@@H](CCCCN2C[C@@H](Cc3ccccc3)N(CCc3cccc(Br)c3)C2=N)CN=C1N

InChI Key: InChIKey=RGVQPTYZIONKLB-URLMMPGGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446483   
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))		BDBM50446483
PNG
(CHEMBL3110041)
Show SMILES CC(C)CCCN1[C@@H](CCCCN2C[C@@H](Cc3ccccc3)N(CCc3cccc(Br)c3)C2=N)CN=C1N |r,c:38|
Show InChI InChI=1S/C31H45BrN6/c1-24(2)10-9-18-37-28(22-35-30(37)33)15-6-7-17-36-23-29(21-25-11-4-3-5-12-25)38(31(36)34)19-16-26-13-8-14-27(32)20-26/h3-5,8,11-14,20,24,28-29,34H,6-7,9-10,15-19,21-23H2,1-2H3,(H2,33,35)/t28-,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.78E+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