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BDBM50223985 8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (3-methylthiophen-2-yl)methyl(phenyl)carbamate::CHEMBL391845

SMILES: CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1

InChI Key: InChIKey=REFOKOYWCWAHCW-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 = 50223985   
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))
BDBM50223985
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (3-methylt...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1
Show InChI InChI=1S/C21H26N2O2S/c1-15-10-11-26-20(15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-8-9-18(13-19)22(17)2/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 117n/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 M3


(Homo sapiens (Human))
BDBM50223985
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (3-methylt...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1
Show InChI InChI=1S/C21H26N2O2S/c1-15-10-11-26-20(15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-8-9-18(13-19)22(17)2/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 108n/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 M2


(Homo sapiens (Human))
BDBM50223985
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (3-methylt...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1
Show InChI InChI=1S/C21H26N2O2S/c1-15-10-11-26-20(15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-8-9-18(13-19)22(17)2/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 191n/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