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BDBM50385680 CHEMBL2042402

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

InChI Key: InChIKey=VPBHPXZSVKLGMA-ZIAGYGMSSA-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 = 50385680   
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))
BDBM50385680
PNG
(CHEMBL2042402)
Show SMILES C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
Show InChI InChI=1S/C14H22NO2/c1-15(2,3)9-13-10-16-11-14(17-13)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/q+1/t13-,14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.46E+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 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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50385680
PNG
(CHEMBL2042402)
Show SMILES C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
Show InChI InChI=1S/C14H22NO2/c1-15(2,3)9-13-10-16-11-14(17-13)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/q+1/t13-,14-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.76E+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 M3


(Homo sapiens (Human))
BDBM50385680
PNG
(CHEMBL2042402)
Show SMILES C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
Show InChI InChI=1S/C14H22NO2/c1-15(2,3)9-13-10-16-11-14(17-13)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/q+1/t13-,14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.77E+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 M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50385680
PNG
(CHEMBL2042402)
Show SMILES C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
Show InChI InChI=1S/C14H22NO2/c1-15(2,3)9-13-10-16-11-14(17-13)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/q+1/t13-,14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.02E+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 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 M4


(Homo sapiens (Human))
BDBM50385680
PNG
(CHEMBL2042402)
Show SMILES C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
Show InChI InChI=1S/C14H22NO2/c1-15(2,3)9-13-10-16-11-14(17-13)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/q+1/t13-,14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.23E+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