new BindingDB logo
myBDB logout

BDBM50381650 CHEMBL2023752

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

InChI Key: InChIKey=AUVWRPKUEQVWAX-FTWYDNTESA-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 = 50381650   
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))
BDBM50381650
PNG
(CHEMBL2023752)
Show SMILES COCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:11.12,TLB:5:4:11.10.28:8.7,THB:3:4:11.10.28:8.7,12:11:4:8.7,(18.45,-5.24,;19.23,-6.57,;18.46,-7.91,;19.24,-9.24,;18.48,-10.58,;16.99,-10.17,;19.54,-11.41,;18.94,-12.75,;17.76,-13.46,;18.74,-12.12,;20.58,-12.12,;21.56,-12.93,;22.34,-14.26,;23.88,-14.25,;24.27,-12.76,;24.66,-11.26,;24.65,-15.59,;23.88,-16.92,;24.65,-18.25,;26.19,-18.24,;26.96,-16.9,;26.18,-15.57,;25.36,-13.85,;26.45,-14.93,;27.93,-14.52,;28.32,-13.03,;27.21,-11.95,;25.74,-12.37,;21.3,-11.38,)|
Show InChI InChI=1S/C26H33N2O/c1-28(15-16-29-2)24-13-14-25(28)18-21(17-24)19-26(20-27,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21,24-25H,13-19H2,1-2H3/q+1/t21-,24?,25?,28?
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.501n/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