BindingDB logo
myBDB logout

5 similar compounds to monomer 50176726

Compile data set for download or QSAR
Wt: 348.4
BDBM50176720
Wt: 348.4
BDBM50176729
Wt: 349.4
BDBM50176730
Wt: 366.4
BDBM50176706
Wt: 348.4
BDBM50176708

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50176720,50176729,50176730,50176706,50176708   
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))
BDBM50176708
PNG
((R)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@@](O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/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/t21-,22-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.25n/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 M3


(Homo sapiens (Human))
BDBM50176706
PNG
(1-(6-fluoropyridin-3-yl)-3-(3-methoxyquinuclidin-3...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccc(F)nc1
Show InChI InChI=1/C22H23FN2O2/c1-27-21(16-25-13-9-17(21)10-14-25)11-12-22(26,18-5-3-2-4-6-18)19-7-8-20(23)24-15-19/h2-8,15,17,26H,9-10,13-14,16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.320n/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 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))
BDBM50176708
PNG
((R)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@@](O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/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/t21-,22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.790n/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
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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50176706
PNG
(1-(6-fluoropyridin-3-yl)-3-(3-methoxyquinuclidin-3...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccc(F)nc1
Show InChI InChI=1/C22H23FN2O2/c1-27-21(16-25-13-9-17(21)10-14-25)11-12-22(26,18-5-3-2-4-6-18)19-7-8-20(23)24-15-19/h2-8,15,17,26H,9-10,13-14,16H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50176720
PNG
((S)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/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/t21-,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/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))
BDBM50176720
PNG
((S)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/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/t21-,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50176730
PNG
((R)-3-(8-methoxyquinuclidin-8-yl)-1,1-di(pyridin-3...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C21H23N3O2/c1-26-20(16-24-12-6-17(20)7-13-24)8-9-21(25,18-4-2-10-22-14-18)19-5-3-11-23-15-19/h2-5,10-11,14-15,17,25H,6-7,12-13,16H2,1H3/t20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/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))
BDBM50176730
PNG
((R)-3-(8-methoxyquinuclidin-8-yl)-1,1-di(pyridin-3...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C21H23N3O2/c1-26-20(16-24-12-6-17(20)7-13-24)8-9-21(25,18-4-2-10-22-14-18)19-5-3-11-23-15-19/h2-5,10-11,14-15,17,25H,6-7,12-13,16H2,1H3/t20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/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
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50176708
PNG
((R)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@@](O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/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/t21-,22-/m1/s1
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



UCB Pharma

Curated by ChEMBL


Assay Description
Antagonism in muscarinic M3 receptor in guinea pig left atria


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