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BDBM50223994 8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl thiophen-3-yl(thiophen-3-ylmethyl)carbamate::CHEMBL236655

SMILES: CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1

InChI Key: InChIKey=NNUZSHSDIMQZLW-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50223994   
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))
BDBM50223994
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl thiophen-3...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C18H22N2O2S2/c1-19-14-2-3-15(19)9-17(8-14)22-18(21)20(16-5-7-24-12-16)10-13-4-6-23-11-13/h4-7,11-12,14-15,17H,2-3,8-10H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19.6n/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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223994
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl thiophen-3...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C18H22N2O2S2/c1-19-14-2-3-15(19)9-17(8-14)22-18(21)20(16-5-7-24-12-16)10-13-4-6-23-11-13/h4-7,11-12,14-15,17H,2-3,8-10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20n/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))
BDBM50223994
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl thiophen-3...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C18H22N2O2S2/c1-19-14-2-3-15(19)9-17(8-14)22-18(21)20(16-5-7-24-12-16)10-13-4-6-23-11-13/h4-7,11-12,14-15,17H,2-3,8-10H2,1H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13.8n/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