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SMILES: [Br-].CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=KKSJQQXZULJWIM-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 4 hits for monomerid = 50491121   
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 M1


(Homo sapiens (Human))
BDBM50491121
PNG
(CHEMBL2377385)
Show SMILES [Br-].CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H28NO2/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3/q+1
UniProtKB/SwissProt

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5.78n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50491121
PNG
(CHEMBL2377385)
Show SMILES [Br-].CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H28NO2/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3/q+1
UniProtKB/SwissProt

antibodypedia
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164n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50491121
PNG
(CHEMBL2377385)
Show SMILES [Br-].CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H28NO2/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3/q+1
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270n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50491121
PNG
(CHEMBL2377385)
Show SMILES [Br-].CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H28NO2/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3/q+1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PubMed
1.69E+3n/an/an/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Displacement of [3H] N-methylscopolamine from human muscarinic M4 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis


Bioorg Med Chem 21: 2651-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.072
BindingDB Entry DOI: 10.7270/Q2X92F6X
More data for this
Ligand-Target Pair