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BDBM50385678 CHEMBL2042407

SMILES: C[N+](C)(C)C[C@@H]1COC[C@@H](O1)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=FPHBBPOYMSEYQZ-WOJBJXKFSA-N

Data: 5 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 5 hits for monomerid = 50385678   
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))
BDBM50385678
PNG
(CHEMBL2042407)
Show SMILES C[N+](C)(C)C[C@@H]1COC[C@@H](O1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H28NO2/c1-22(2,3)14-19-15-23-16-20(24-19)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21H,14-16H2,1-3H3/q+1/t19-,20-/m1/s1
UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50385678
PNG
(CHEMBL2042407)
Show SMILES C[N+](C)(C)C[C@@H]1COC[C@@H](O1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H28NO2/c1-22(2,3)14-19-15-23-16-20(24-19)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21H,14-16H2,1-3H3/q+1/t19-,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
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PC sid
UniChem
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PubMed
7.59E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50385678
PNG
(CHEMBL2042407)
Show SMILES C[N+](C)(C)C[C@@H]1COC[C@@H](O1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H28NO2/c1-22(2,3)14-19-15-23-16-20(24-19)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21H,14-16H2,1-3H3/q+1/t19-,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem
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8.91E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50385678
PNG
(CHEMBL2042407)
Show SMILES C[N+](C)(C)C[C@@H]1COC[C@@H](O1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H28NO2/c1-22(2,3)14-19-15-23-16-20(24-19)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21H,14-16H2,1-3H3/q+1/t19-,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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1.12E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50385678
PNG
(CHEMBL2042407)
Show SMILES C[N+](C)(C)C[C@@H]1COC[C@@H](O1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H28NO2/c1-22(2,3)14-19-15-23-16-20(24-19)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21H,14-16H2,1-3H3/q+1/t19-,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.82E+4n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair