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BDBM50221888 CHEMBL390227::trimethyl-(4-quinolin-6-yl-but-3-ynyl)-ammonium iodide

SMILES: C[N+](C)(C)CCC#Cc1ccc2ncccc2c1

InChI Key: InChIKey=MCYJBKDFWKMBLZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50221888   
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


(Rattus norvegicus (Rat))
BDBM50221888
PNG
(CHEMBL390227 | trimethyl-(4-quinolin-6-yl-but-3-yn...)
Show SMILES C[N+](C)(C)CCC#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C16H19N2/c1-18(2,3)12-5-4-7-14-9-10-16-15(13-14)8-6-11-17-16/h6,8-11,13H,5,12H2,1-3H3/q+1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
142n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221888
PNG
(CHEMBL390227 | trimethyl-(4-quinolin-6-yl-but-3-yn...)
Show SMILES C[N+](C)(C)CCC#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C16H19N2/c1-18(2,3)12-5-4-7-14-9-10-16-15(13-14)8-6-11-17-16/h6,8-11,13H,5,12H2,1-3H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.80E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair