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BDBM50407222 CHEMBL112244

SMILES: CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12

InChI Key: InChIKey=CVYMNORESIPOLC-UHFFFAOYSA-N

Data: 4 KI  2 Kd

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 6 hits for monomerid = 50407222   
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


(RAT)
BDBM50407222
PNG
(CHEMBL112244)
Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C36H59N7O2/c1-41(28-17-9-5-13-23-37)26-15-7-3-4-8-16-27-42(2)29-18-10-6-14-24-38-30-34(44)43-33-22-12-11-20-31(33)36(45)40-32-21-19-25-39-35(32)43/h11-12,19-22,25,38H,3-10,13-18,23-24,26-30,37H2,1-2H3,(H,40,45)
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4.40n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Binding affinity for rat cortex Muscarinic acetylcholine receptor M1


J Med Chem 41: 4150-60 (1998)

Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50407222
PNG
(CHEMBL112244)
Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C36H59N7O2/c1-41(28-17-9-5-13-23-37)26-15-7-3-4-8-16-27-42(2)29-18-10-6-14-24-38-30-34(44)43-33-22-12-11-20-31(33)36(45)40-32-21-19-25-39-35(32)43/h11-12,19-22,25,38H,3-10,13-18,23-24,26-30,37H2,1-2H3,(H,40,45)
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7.80n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2


J Med Chem 41: 4150-60 (1998)

Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50407222
PNG
(CHEMBL112244)
Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C36H59N7O2/c1-41(28-17-9-5-13-23-37)26-15-7-3-4-8-16-27-42(2)29-18-10-6-14-24-38-30-34(44)43-33-22-12-11-20-31(33)36(45)40-32-21-19-25-39-35(32)43/h11-12,19-22,25,38H,3-10,13-18,23-24,26-30,37H2,1-2H3,(H,40,45)
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16n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4


J Med Chem 41: 4150-60 (1998)

Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50407222
PNG
(CHEMBL112244)
Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C36H59N7O2/c1-41(28-17-9-5-13-23-37)26-15-7-3-4-8-16-27-42(2)29-18-10-6-14-24-38-30-34(44)43-33-22-12-11-20-31(33)36(45)40-32-21-19-25-39-35(32)43/h11-12,19-22,25,38H,3-10,13-18,23-24,26-30,37H2,1-2H3,(H,40,45)
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331n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to rat submaxillary gland Muscarinic acetylcholine receptor M3


J Med Chem 41: 4150-60 (1998)

Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50407222
PNG
(CHEMBL112244)
Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C36H59N7O2/c1-41(28-17-9-5-13-23-37)26-15-7-3-4-8-16-27-42(2)29-18-10-6-14-24-38-30-34(44)43-33-22-12-11-20-31(33)36(45)40-32-21-19-25-39-35(32)43/h11-12,19-22,25,38H,3-10,13-18,23-24,26-30,37H2,1-2H3,(H,40,45)
PDB

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antibodypedia
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n/an/an/a 8.13n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonistic activity against M2 muscarinic receptor in guinea pig left atrium derived by plotting log(DR - 1) vs log[antagonist]


J Med Chem 37: 3363-72 (1994)


BindingDB Entry DOI: 10.7270/Q21V5G5G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50407222
PNG
(CHEMBL112244)
Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C36H59N7O2/c1-41(28-17-9-5-13-23-37)26-15-7-3-4-8-16-27-42(2)29-18-10-6-14-24-38-30-34(44)43-33-22-12-11-20-31(33)36(45)40-32-21-19-25-39-35(32)43/h11-12,19-22,25,38H,3-10,13-18,23-24,26-30,37H2,1-2H3,(H,40,45)
MMDB

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n/an/an/a 661n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonistic activity against M3 muscarinic receptor in guinea pig left ileum derived by plotting log(DR - 1) vs log[antagonist]


J Med Chem 37: 3363-72 (1994)


BindingDB Entry DOI: 10.7270/Q21V5G5G
More data for this
Ligand-Target Pair