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SMILES: C[C@@H]1O[C@@H](C[S+]1[O-])[C@@H]1CCC[N+]1(C)C

InChI Key: InChIKey=DAXFFIHSDRDSKA-KIWYXKPISA-N

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 6 hits for monomerid = 50478149   
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))
BDBM50478149
PNG
(CHEMBL541424)
Show SMILES C[C@@H]1O[C@@H](C[S+]1[O-])[C@@H]1CCC[N+]1(C)C |r|
Show InChI InChI=1S/C10H20NO2S/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3/h8-10H,4-7H2,1-3H3/q+1/t8-,9+,10+,14?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.33E+3n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem 16: 3049-58 (2008)


Article DOI: 10.1016/j.bmc.2007.12.036
BindingDB Entry DOI: 10.7270/Q2MS3WJ6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50478149
PNG
(CHEMBL541424)
Show SMILES C[C@@H]1O[C@@H](C[S+]1[O-])[C@@H]1CCC[N+]1(C)C |r|
Show InChI InChI=1S/C10H20NO2S/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3/h8-10H,4-7H2,1-3H3/q+1/t8-,9+,10+,14?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.55E+4n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem 16: 3049-58 (2008)


Article DOI: 10.1016/j.bmc.2007.12.036
BindingDB Entry DOI: 10.7270/Q2MS3WJ6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50478149
PNG
(CHEMBL541424)
Show SMILES C[C@@H]1O[C@@H](C[S+]1[O-])[C@@H]1CCC[N+]1(C)C |r|
Show InChI InChI=1S/C10H20NO2S/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3/h8-10H,4-7H2,1-3H3/q+1/t8-,9+,10+,14?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.39E+4n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human cloned muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 16: 3049-58 (2008)


Article DOI: 10.1016/j.bmc.2007.12.036
BindingDB Entry DOI: 10.7270/Q2MS3WJ6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50478149
PNG
(CHEMBL541424)
Show SMILES C[C@@H]1O[C@@H](C[S+]1[O-])[C@@H]1CCC[N+]1(C)C |r|
Show InChI InChI=1S/C10H20NO2S/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3/h8-10H,4-7H2,1-3H3/q+1/t8-,9+,10+,14?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.75E+4n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human cloned muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 16: 3049-58 (2008)


Article DOI: 10.1016/j.bmc.2007.12.036
BindingDB Entry DOI: 10.7270/Q2MS3WJ6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50478149
PNG
(CHEMBL541424)
Show SMILES C[C@@H]1O[C@@H](C[S+]1[O-])[C@@H]1CCC[N+]1(C)C |r|
Show InChI InChI=1S/C10H20NO2S/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3/h8-10H,4-7H2,1-3H3/q+1/t8-,9+,10+,14?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.13E+4n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem 16: 3049-58 (2008)


Article DOI: 10.1016/j.bmc.2007.12.036
BindingDB Entry DOI: 10.7270/Q2MS3WJ6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50478149
PNG
(CHEMBL541424)
Show SMILES C[C@@H]1O[C@@H](C[S+]1[O-])[C@@H]1CCC[N+]1(C)C |r|
Show InChI InChI=1S/C10H20NO2S/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3/h8-10H,4-7H2,1-3H3/q+1/t8-,9+,10+,14?/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.33E+4n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 16: 3049-58 (2008)


Article DOI: 10.1016/j.bmc.2007.12.036
BindingDB Entry DOI: 10.7270/Q2MS3WJ6
More data for this
Ligand-Target Pair