BindingDB logo
myBDB logout

BDBM50446499 CHEMBL3110025

SMILES: NC1=NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3cccc(Br)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=QZSFQPHEUVUELH-JHOUSYSJSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446499   
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))		BDBM50446499
PNG
(CHEMBL3110025)
Show SMILES NC1=NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3cccc(Br)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 |r,t:1|
Show InChI InChI=1S/C37H41BrCl2N6/c38-31-9-5-6-26(21-31)16-19-46-33(22-28-11-13-29-7-1-2-8-30(29)20-28)25-44(37(46)42)17-4-3-10-32-24-43-36(41)45(32)18-15-27-12-14-34(39)35(40)23-27/h1-2,5-9,11-14,20-21,23,32-33,42H,3-4,10,15-19,22,24-25H2,(H2,41,43)/t32-,33+/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
 3.00E+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