new BindingDB logo
myBDB logout

BDBM50223976 8,8-dimethyl-3-(thiophen-3-yl-thiophen-3-ylmethyl-carbamoyloxy)-8-azonia-bicyclo[3.2.1]octane; bromide::CHEMBL400037

SMILES: C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1

InChI Key: InChIKey=LMDNOMYZUIYOBM-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 = 50223976   
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))
BDBM50223976
PNG
(8,8-dimethyl-3-(thiophen-3-yl-thiophen-3-ylmethyl-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H25N2O2S2/c1-21(2)16-3-4-17(21)10-18(9-16)23-19(22)20(15-6-8-25-13-15)11-14-5-7-24-12-14/h5-8,12-13,16-18H,3-4,9-11H2,1-2H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/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))
BDBM50223976
PNG
(8,8-dimethyl-3-(thiophen-3-yl-thiophen-3-ylmethyl-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H25N2O2S2/c1-21(2)16-3-4-17(21)10-18(9-16)23-19(22)20(15-6-8-25-13-15)11-14-5-7-24-12-14/h5-8,12-13,16-18H,3-4,9-11H2,1-2H3/q+1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/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))
BDBM50223976
PNG
(8,8-dimethyl-3-(thiophen-3-yl-thiophen-3-ylmethyl-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H25N2O2S2/c1-21(2)16-3-4-17(21)10-18(9-16)23-19(22)20(15-6-8-25-13-15)11-14-5-7-24-12-14/h5-8,12-13,16-18H,3-4,9-11H2,1-2H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/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