new BindingDB logo
myBDB logout

BDBM50381641 CHEMBL2023758

SMILES: COCCOCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2

InChI Key: InChIKey=WXFHYLPDYNKHIU-JIKYIQHHSA-N

Data: 1 Kd

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 = 50381641   
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 M3


(Homo sapiens (Human))
BDBM50381641
PNG
(CHEMBL2023758)
Show SMILES COCCOCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:14.15,TLB:8:7:14.13.31:11.10,THB:6:7:14.13.31:11.10,15:14:7:11.10,(-7.22,-32.85,;-7.99,-34.19,;-7.21,-35.52,;-7.97,-36.86,;-7.19,-38.19,;-7.95,-39.53,;-7.17,-40.86,;-7.93,-42.2,;-9.43,-41.79,;-6.88,-43.03,;-7.48,-44.37,;-8.66,-45.08,;-7.67,-43.73,;-5.83,-43.73,;-4.85,-44.54,;-4.08,-45.87,;-2.54,-45.87,;-2.15,-44.37,;-1.75,-42.87,;-1.77,-47.2,;-2.53,-48.53,;-1.76,-49.86,;-.22,-49.86,;.55,-48.51,;-.23,-47.19,;-1.06,-45.46,;.03,-46.54,;1.51,-46.14,;1.9,-44.65,;.8,-43.57,;-.68,-43.98,;-5.12,-43,)|
Show InChI InChI=1S/C28H37N2O2/c1-30(15-16-32-18-17-31-2)26-13-14-27(30)20-23(19-26)21-28(22-29,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,23,26-27H,13-21H2,1-2H3/q+1/t23-,26?,27?,30?
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.631n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair