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BDBM50036172 3-Thiophen-3-yl-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL343242

SMILES: OC1(CN2CCC1CC2)c1ccsc1

InChI Key: InChIKey=BPKMMXKNCOJMOQ-UHFFFAOYNA-N

Data: 3 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 3 hits for monomerid = 50036172   
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))
BDBM50036172
PNG
(3-Thiophen-3-yl-1-aza-bicyclo[2.2.2]octan-3-ol | C...)
Show SMILES OC1(CN2CCC1CC2)c1ccsc1
Show InChI InChI=1/C11H15NOS/c13-11(10-3-6-14-7-10)8-12-4-1-9(11)2-5-12/h3,6-7,9,13H,1-2,4-5,8H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
9.20E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036172
PNG
(3-Thiophen-3-yl-1-aza-bicyclo[2.2.2]octan-3-ol | C...)
Show SMILES OC1(CN2CCC1CC2)c1ccsc1
Show InChI InChI=1/C11H15NOS/c13-11(10-3-6-14-7-10)8-12-4-1-9(11)2-5-12/h3,6-7,9,13H,1-2,4-5,8H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.80E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50036172
PNG
(3-Thiophen-3-yl-1-aza-bicyclo[2.2.2]octan-3-ol | C...)
Show SMILES OC1(CN2CCC1CC2)c1ccsc1
Show InChI InChI=1/C11H15NOS/c13-11(10-3-6-14-7-10)8-12-4-1-9(11)2-5-12/h3,6-7,9,13H,1-2,4-5,8H2
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.70E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland


J Med Chem 38: 473-87 (1995)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair