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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 = 'BDBM50387772'   
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))
BDBM50387772
PNG
(CHEMBL2057505)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCOc2c1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C20H22N4O5S/c25-20(23-9-7-22(8-10-23)16-3-5-21-6-4-16)15-12-24(13-15)30(26,27)17-1-2-18-19(11-17)29-14-28-18/h1-6,11,15H,7-10,12-14H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 830n/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))
BDBM50387772
PNG
(CHEMBL2057505)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCOc2c1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C20H22N4O5S/c25-20(23-9-7-22(8-10-23)16-3-5-21-6-4-16)15-12-24(13-15)30(26,27)17-1-2-18-19(11-17)29-14-28-18/h1-6,11,15H,7-10,12-14H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 832n/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