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BDBM50079585 3-(3-Hexyloxy-pyrazin-2-ylsulfanyl)-1-aza-bicyclo[2.2.1]heptane::CHEMBL54219

SMILES: CCCCCCOc1nccnc1SC1CN2CCC1C2

InChI Key: InChIKey=SBDLOKWSNBNUDC-UHFFFAOYSA-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 = 50079585   
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50079585
PNG
(3-(3-Hexyloxy-pyrazin-2-ylsulfanyl)-1-aza-bicyclo[...)
Show SMILES CCCCCCOc1nccnc1SC1CN2CCC1C2 |THB:13:14:20:18.17|
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-20-15-16(18-8-7-17-15)21-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
292n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand


Bioorg Med Chem Lett 9: 1895-900 (1999)


BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair