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BDBM50223964 3-(benzyl-thiophen-3-yl-carbamoyloxy)-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane; bromide::CHEMBL237742

SMILES: C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1

InChI Key: InChIKey=PNLHOADYGQJVLG-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50223964   
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))
BDBM50223964
PNG
(3-(benzyl-thiophen-3-yl-carbamoyloxy)-8,8-dimethyl...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(17-10-11-26-15-17)14-16-6-4-3-5-7-16/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223964
PNG
(3-(benzyl-thiophen-3-yl-carbamoyloxy)-8,8-dimethyl...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(17-10-11-26-15-17)14-16-6-4-3-5-7-16/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223964
PNG
(3-(benzyl-thiophen-3-yl-carbamoyloxy)-8,8-dimethyl...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(17-10-11-26-15-17)14-16-6-4-3-5-7-16/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10.9n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair