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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50030247'   
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))
BDBM50030247
PNG
(CHEMBL3354075)
Show SMILES OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C26H42N2O2/c29-22-9-5-3-1-2-4-6-11-23-16-20-27(21-17-23)18-10-19-28-25-13-8-7-12-24(25)14-15-26(28)30/h7-8,12-13,23,29H,1-6,9-11,14-22H2
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Article
PubMed
282n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50030247
PNG
(CHEMBL3354075)
Show SMILES OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C26H42N2O2/c29-22-9-5-3-1-2-4-6-11-23-16-20-27(21-17-23)18-10-19-28-25-13-8-7-12-24(25)14-15-26(28)30/h7-8,12-13,23,29H,1-6,9-11,14-22H2
UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human M1 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based beta-arrestin ...


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50030247
PNG
(CHEMBL3354075)
Show SMILES OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C26H42N2O2/c29-22-9-5-3-1-2-4-6-11-23-16-20-27(21-17-23)18-10-19-28-25-13-8-7-12-24(25)14-15-26(28)30/h7-8,12-13,23,29H,1-6,9-11,14-22H2
UniProtKB/SwissProt

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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human M1 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based Gq protein eng...


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50030247
PNG
(CHEMBL3354075)
Show SMILES OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C26H42N2O2/c29-22-9-5-3-1-2-4-6-11-23-16-20-27(21-17-23)18-10-19-28-25-13-8-7-12-24(25)14-15-26(28)30/h7-8,12-13,23,29H,1-6,9-11,14-22H2
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PubMed
n/an/a 1.95E+4n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human M1 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based Gq protein act...


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50030247
PNG
(CHEMBL3354075)
Show SMILES OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C26H42N2O2/c29-22-9-5-3-1-2-4-6-11-23-16-20-27(21-17-23)18-10-19-28-25-13-8-7-12-24(25)14-15-26(28)30/h7-8,12-13,23,29H,1-6,9-11,14-22H2
UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 2.45E+5n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human M1 receptor expressed in HEK293T cells by BRET based beta-arrestin engagement assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50030247
PNG
(CHEMBL3354075)
Show SMILES OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C26H42N2O2/c29-22-9-5-3-1-2-4-6-11-23-16-20-27(21-17-23)18-10-19-28-25-13-8-7-12-24(25)14-15-26(28)30/h7-8,12-13,23,29H,1-6,9-11,14-22H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 295n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human M1 receptor expressed in HEK293T cells by BRET based Gq protein activation assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair