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BDBM50176729 3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-3-yl)prop-2-yn-1-ol::CHEMBL200319

SMILES: COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1

InChI Key: InChIKey=ZGBSEJYQXDWFRF-UHFFFAOYNA-N

Data: 2 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 2 hits for monomerid = 50176729   
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))
BDBM50176729
PNG
(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1
Show InChI InChI=1/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


Bioorg Med Chem Lett 16: 373-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50176729
PNG
(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1
Show InChI InChI=1/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor


Bioorg Med Chem Lett 16: 373-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70
More data for this
Ligand-Target Pair