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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50475679'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50475679
PNG
(CHEMBL2093082)
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+;/m0./s1
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<1.00E+5n/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 M3


(Homo sapiens (Human))
BDBM50475679
PNG
(CHEMBL2093082)
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+;/m0./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+5n/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 M3


(Homo sapiens (Human))
BDBM50475679
PNG
(CHEMBL2093082)
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+;/m0./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+5n/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