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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 = 'BDBM50387761'   
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))
BDBM50387761
PNG
(CHEMBL2057780)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2nonc12)N1CC2CN(CC2C1)c1ccncc1
Show InChI InChI=1S/C21H22N6O4S/c28-21(26-10-14-8-25(9-15(14)11-26)17-4-6-22-7-5-17)16-12-27(13-16)32(29,30)19-3-1-2-18-20(19)24-31-23-18/h1-7,14-16H,8-13H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.95E+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))
BDBM50387761
PNG
(CHEMBL2057780)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2nonc12)N1CC2CN(CC2C1)c1ccncc1
Show InChI InChI=1S/C21H22N6O4S/c28-21(26-10-14-8-25(9-15(14)11-26)17-4-6-22-7-5-17)16-12-27(13-16)32(29,30)19-3-1-2-18-20(19)24-31-23-18/h1-7,14-16H,8-13H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+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