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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50313638'   
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))
BDBM50313638
PNG
(1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...)
Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 170n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Activation of human M1 mAChR expressed in FlpIn-CHO cells assessed as FBS-induced ERK1/2 phosphorylation incubated for 5 mins by Alphascreen assay


J Med Chem 57: 5405-18 (2014)


Article DOI: 10.1021/jm500556a
BindingDB Entry DOI: 10.7270/Q2TD9ZX9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50313638
PNG
(1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...)
Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
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MCE
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PC sid
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n/an/an/an/a 170n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Activation of human M1 mAChR expressed in FlpIn-CHO cells assessed as FBS-induced ERK1/2 phosphorylation incubated for 5 mins by Alphascreen assay


J Med Chem 57: 5405-18 (2014)


Article DOI: 10.1021/jm500556a
BindingDB Entry DOI: 10.7270/Q2TD9ZX9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50313638
PNG
(1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...)
Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
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n/an/an/an/a 8.32E+3n/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...


J Med Chem 58: 560-76 (2015)


Article DOI: 10.1021/jm500860w
BindingDB Entry DOI: 10.7270/Q2125VCS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50313638
PNG
(1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...)
Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
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n/an/an/a 5.50E+4n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)


Article DOI: 10.1021/jm500860w
BindingDB Entry DOI: 10.7270/Q2125VCS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50313638
PNG
(1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...)
Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
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CHEMBL
MCE
PC cid
PC sid
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n/an/an/an/a 129n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Allosteric modulation of human muscarinic M1 acetylcholine receptor expressed CHO cells assessed as intracellular calcium mobilization after 1 hr by ...


J Med Chem 56: 5151-72 (2013)


Article DOI: 10.1021/jm400540b
BindingDB Entry DOI: 10.7270/Q2WS8X52
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50313638
PNG
(1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...)
Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
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n/an/an/an/a 820n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation activity at muscarinic M1 receptor


J Med Chem 55: 1445-64 (2012)


Article DOI: 10.1021/jm201139r
BindingDB Entry DOI: 10.7270/Q25D8SWH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50313638
PNG
(1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...)
Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
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n/an/an/an/a<100n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic acetylcholine M1 receptor expressed in CHO-NFAT cells assessed as potentiation of acetylcholine-in...


Bioorg Med Chem Lett 28: 2175-2179 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.009
BindingDB Entry DOI: 10.7270/Q2QR50N4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50313638
PNG
(1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...)
Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
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n/an/an/an/a 823n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO-NFAT cells assessed as potentiation of acetylcholine-in...


J Med Chem 61: 2875-2894 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01812
BindingDB Entry DOI: 10.7270/Q2PV6P1F
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50313638
PNG
(1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...)
Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)
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n/an/an/an/a 845n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Potentiation of muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mobilization after 1 ...


Bioorg Med Chem Lett 20: 1972-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.109
BindingDB Entry DOI: 10.7270/Q2057G2P
More data for this
Ligand-Target Pair