BindingDB logo
myBDB logout

BDBM50413419 CHEMBL493329

SMILES: C[C@H]1CN(Cc2cccc(c2)-c2cccc(CNC(=O)c3ccc4OCOc4c3)c2)CCN1

InChI Key: InChIKey=WSSGFZYQWZJJNG-IBGZPJMESA-N

Data: 1 IC50

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 = 50413419   
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))
BDBM50413419
PNG
(CHEMBL493329)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cccc(CNC(=O)c3ccc4OCOc4c3)c2)CCN1 |r|
Show InChI InChI=1S/C27H29N3O3/c1-19-16-30(11-10-28-19)17-21-5-3-7-23(13-21)22-6-2-4-20(12-22)15-29-27(31)24-8-9-25-26(14-24)33-18-32-25/h2-9,12-14,19,28H,10-11,15-18H2,1H3,(H,29,31)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 1686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.098
BindingDB Entry DOI: 10.7270/Q2639QZ5
More data for this
Ligand-Target Pair