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BDBM50030224 CHEMBL3354069

SMILES: CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

InChI Key: InChIKey=PFSPMYHTZUFJQW-UHFFFAOYSA-N

Data: 5 KI  4 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50030224   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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1n/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 M4


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M4 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 M3


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3 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 M2


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M2 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/M5 chimeric protein


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 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))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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n/an/an/an/a 871n/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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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n/an/a 1.41E+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))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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n/an/an/an/a 6.17E+4n/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 M4


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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n/an/a 9.55E+4n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by beta-arrestin engagement ...


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 M4


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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n/an/an/an/a 6.61E+4n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human M4 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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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n/an/a 1.48E+5n/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 M4


(Homo sapiens (Human))
BDBM50030224
PNG
(CHEMBL3354069)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C34H51N5O2S/c1-37-21-11-15-30(27-37)33-34(36-42-35-33)41-26-10-6-4-2-3-5-7-13-28-19-24-38(25-20-28)22-12-23-39-31-16-9-8-14-29(31)17-18-32(39)40/h8-9,14-16,28H,2-7,10-13,17-27H2,1H3
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n/an/a 2.46E+3n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human M4 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