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SMILES: [I-].[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C

InChI Key: InChIKey=PUJOJSPRKCGQLP-VQSDNHQRSA-M

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 5 hits for monomerid = 50475678   
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))
BDBM50475678
PNG
(CHEMBL2093084)
Show SMILES [I-].[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C |r|
Show InChI InChI=1S/C10H20NO2S.HI/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3;/h8-10H,4-7H2,1-3H3;1H/q+1;/p-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 Firenze

Curated by ChEMBL


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


J Med Chem 49: 1925-31 (2006)


Article DOI: 10.1021/jm0510878
BindingDB Entry DOI: 10.7270/Q2HX1GFK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50475678
PNG
(CHEMBL2093084)
Show SMILES [I-].[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C |r|
Show InChI InChI=1S/C10H20NO2S.HI/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3;/h8-10H,4-7H2,1-3H3;1H/q+1;/p-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 Firenze

Curated by ChEMBL


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


J Med Chem 49: 1925-31 (2006)


Article DOI: 10.1021/jm0510878
BindingDB Entry DOI: 10.7270/Q2HX1GFK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50475678
PNG
(CHEMBL2093084)
Show SMILES [I-].[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C |r|
Show InChI InChI=1S/C10H20NO2S.HI/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3;/h8-10H,4-7H2,1-3H3;1H/q+1;/p-1/t8-,9+,10+,14-;/m1./s1
PDB

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 Firenze

Curated by ChEMBL


Assay Description
Binding affinity to cloned human muscarinic M3 receptor expressed in CHO cells


J Med Chem 49: 1925-31 (2006)


Article DOI: 10.1021/jm0510878
BindingDB Entry DOI: 10.7270/Q2HX1GFK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50475678
PNG
(CHEMBL2093084)
Show SMILES [I-].[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C |r|
Show InChI InChI=1S/C10H20NO2S.HI/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3;/h8-10H,4-7H2,1-3H3;1H/q+1;/p-1/t8-,9+,10+,14-;/m1./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.68E+4n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Binding affinity to cloned human muscarinic M4 receptor expressed in CHO cells


J Med Chem 49: 1925-31 (2006)


Article DOI: 10.1021/jm0510878
BindingDB Entry DOI: 10.7270/Q2HX1GFK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50475678
PNG
(CHEMBL2093084)
Show SMILES [I-].[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C |r|
Show InChI InChI=1S/C10H20NO2S.HI/c1-8-13-10(7-14(8)12)9-5-4-6-11(9,2)3;/h8-10H,4-7H2,1-3H3;1H/q+1;/p-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 Firenze

Curated by ChEMBL


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


J Med Chem 49: 1925-31 (2006)


Article DOI: 10.1021/jm0510878
BindingDB Entry DOI: 10.7270/Q2HX1GFK
More data for this
Ligand-Target Pair