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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50387783'   
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 M1


(Homo sapiens (Human))
BDBM50387783
PNG
(CHEMBL2057781)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2OCOc12)N1CC2CN(CC2C1)c1ccncc1
Show InChI InChI=1S/C22H24N4O5S/c27-22(25-10-15-8-24(9-16(15)11-25)18-4-6-23-7-5-18)17-12-26(13-17)32(28,29)20-3-1-2-19-21(20)31-14-30-19/h1-7,15-17H,8-14H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387783
PNG
(CHEMBL2057781)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2OCOc12)N1CC2CN(CC2C1)c1ccncc1
Show InChI InChI=1S/C22H24N4O5S/c27-22(25-10-15-8-24(9-16(15)11-25)18-4-6-23-7-5-18)17-12-26(13-17)32(28,29)20-3-1-2-19-21(20)31-14-30-19/h1-7,15-17H,8-14H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair