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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 = 'BDBM50107707'   
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))
BDBM50107707
PNG
(1,2-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:24|
Show InChI InChI=1S/C18H24N6S4/c1-23-7-3-5-13(11-23)15-17(21-27-19-15)25-9-10-26-18-16(20-28-22-18)14-6-4-8-24(2)12-14/h5-6H,3-4,7-12H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
20n/an/an/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by diaplacing [3H]-(R)-QNB radioligand.


J Med Chem 44: 4563-76 (2001)


BindingDB Entry DOI: 10.7270/Q2765DN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50107707
PNG
(1,2-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:24|
Show InChI InChI=1S/C18H24N6S4/c1-23-7-3-5-13(11-23)15-17(21-27-19-15)25-9-10-26-18-16(20-28-22-18)14-6-4-8-24(2)12-14/h5-6H,3-4,7-12H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 440n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Agonistic activity against M1 muscarinic receptor expressed in A9 L cells.


J Med Chem 44: 4563-76 (2001)


BindingDB Entry DOI: 10.7270/Q2765DN7
More data for this
Ligand-Target Pair