BindingDB logo
myBDB logout

BDBM50419512 CHEMBL1924040

SMILES: C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1ccccc1

InChI Key: InChIKey=RVXKMYHNDBHDLD-SHZVQYQYSA-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 = 50419512   
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))		BDBM50419512
PNG
(CHEMBL1924040)
Show SMILES C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1ccccc1 |r,wU:1.0,wD:1.8,11.11,(6.96,-48.42,;6.97,-46.88,;6.97,-45.33,;8.31,-44.56,;8.31,-43.03,;6.97,-42.25,;5.63,-43.02,;5.63,-44.57,;8.31,-47.65,;8.32,-49.2,;9.65,-46.87,;10.99,-47.64,;10.99,-49.19,;12.33,-49.95,;12.37,-51.49,;11.07,-52.3,;11.11,-53.83,;9.8,-54.64,;8.45,-53.91,;8.41,-52.38,;7.06,-51.65,;5.75,-52.46,;5.8,-54,;7.15,-54.72,;13.67,-49.19,;13.67,-47.64,;12.33,-46.86,;11.55,-48.19,;13.03,-48.58,;5.63,-47.64,;4.31,-46.85,;2.97,-47.61,;2.96,-49.15,;4.29,-49.93,;5.62,-49.17,)|
Show InChI InChI=1S/C30H41N2O3/c1-30(26-12-5-2-6-13-26,31-18-9-4-10-19-31)29(33)35-28-24-32(21-16-25(28)17-22-32)20-11-23-34-27-14-7-3-8-15-27/h2-3,5-8,12-15,25,28H,4,9-11,16-24H2,1H3/q+1/t25?,28-,30-,32?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.0501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from recombinant human M3 receptor expressed in CHO-K1 cells after 16 hrs

Bioorg Med Chem Lett 21: 7440-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.002
BindingDB Entry DOI: 10.7270/Q2H41SPH
More data for this
Ligand-Target Pair