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SMILES: [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1

InChI Key: InChIKey=YBLQTGIHORXGKX-UHFFFAOYSA-N

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 23 hits for monomerid = 50246726   
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 M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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2.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M2 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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2.04E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M2 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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6.30E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M3 receptor expressed in HEK293T cell membranes after 1 hr by liqu...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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6.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M1 receptor expressed in HEK293T cell membranes after 1 hr by liqu...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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6.76E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M1 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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6.80E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M1 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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7.76E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M3 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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7.80E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M3 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillati...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
PDB
MMDB

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9.70E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR expressed in human recombinant SH-SY5Y cell membranes after 120 mins


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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1.30E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M2 receptor expressed in HEK293T cell membranes after 1 hr by liqu...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 1.10E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human muscarinic M2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-mediated cAMP accumulation...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 1.74E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human muscarinic M2 receptor expressed in HEK293 cells co-expressing beta-arrestin assessed as increase in beta-arres...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 3.31E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at Gi/o protein-coupled recombinant human muscarinic M2 receptor expressed in CHO-FlpIn cells preincubated for 60 mins followed by [...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 4.80E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at Gq/11 coupled recombinant human muscarinic M1 AChR expressed in CHO-FlpIn cells assessed as IP-one accumulation after 40 mins by ...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 240n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human muscarinic M2 receptor expressed in CHO cells assessed as upregulation in ERK1/2 phosphorylation after 5 mins b...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 240n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human muscarinic M2 receptor expressed in CHO cells assessed as upregulation in ERK1/2 phosphorylation after 5 mins b...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 1.70E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human muscarinic M2 receptor expressed in HEK293 cells co-expressing beta-arrestin assessed as increase in beta-arres...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 1.10E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human muscarinic M2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-mediated cAMP accumulation...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 3.30E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at Gi/o protein-coupled recombinant human muscarinic M2 receptor expressed in CHO-FlpIn cells preincubated for 60 mins followed by [...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 3.70E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at Gq/11 coupled recombinant human muscarinic M3 AChR expressed in CHO-FlpIn cells assessed as IP-one accumulation after 40 mins by ...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 3.72E+6n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at Gq/11 coupled recombinant human muscarinic M3 AChR expressed in CHO-FlpIn cells assessed as IP-one accumulation after 40 mins by ...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
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n/an/an/an/a 4.79E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at Gq/11 coupled recombinant human muscarinic M1 AChR expressed in CHO-FlpIn cells assessed as IP-one accumulation after 40 mins by ...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50246726
PNG
(CHEMBL4060823)
Show SMILES [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
Show InChI InChI=1S/C13H20NO/c1-14(2,3)8-6-11-4-5-12-7-9-15-13(12)10-11/h4-5,10H,6-9H2,1-3H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.10E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant muscarinic M2 receptor co-expressed with Galphaqi5-HA in African green monkey COS7 cells assessed as IP accumul...


J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair