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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 = 'BDBM50395971'   
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))
BDBM50395971
PNG
(CHEMBL2164898)
Show SMILES O=C(C(Cc1ccccc1)c1ccccc1)N1CC[C@H]2CCCN2CC1 |r|
Show InChI InChI=1S/C23H28N2O/c26-23(25-15-13-21-12-7-14-24(21)16-17-25)22(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19/h1-6,8-11,21-22H,7,12-18H2/t21-,22?/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395971
PNG
(CHEMBL2164898)
Show SMILES O=C(C(Cc1ccccc1)c1ccccc1)N1CC[C@H]2CCCN2CC1 |r|
Show InChI InChI=1S/C23H28N2O/c26-23(25-15-13-21-12-7-14-24(21)16-17-25)22(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19/h1-6,8-11,21-22H,7,12-18H2/t21-,22?/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.14E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair