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BDBM82559 methoctramine analog 5

SMILES: CN(CCCCCCNCCCCCCCCNCCCCCCN(CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12

InChI Key: InChIKey=UCIXJBLMMVFGLE-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 82559   
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 M2


(RAT)
BDBM82559
PNG
(methoctramine analog 5)
Show SMILES CN(CCCCCCNCCCCCCCCNCCCCCCN(CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C60H75N13O3/c1-69(43-71-52-31-13-10-25-46(52)58(74)66-49-28-22-38-63-55(49)71)41-20-8-6-18-36-61-34-16-4-2-3-5-17-35-62-37-19-7-9-21-42-70(44-72-53-32-14-11-26-47(53)59(75)67-50-29-23-39-64-56(50)72)45-73-54-33-15-12-27-48(54)60(76)68-51-30-24-40-65-57(51)73/h10-15,22-33,38-40,61-62H,2-9,16-21,34-37,41-45H2,1H3,(H,66,74)(H,67,75)(H,68,76)
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UniChem
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0.290n/an/an/an/an/an/an/an/a



University of Bologna

Curated by PDSP Ki Database




J Med Chem 36: 3734-7 (1993)


Article DOI: 10.1016/j.bioorg.2015.05.007
BindingDB Entry DOI: 10.7270/Q2W957Q0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM82559
PNG
(methoctramine analog 5)
Show SMILES CN(CCCCCCNCCCCCCCCNCCCCCCN(CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C60H75N13O3/c1-69(43-71-52-31-13-10-25-46(52)58(74)66-49-28-22-38-63-55(49)71)41-20-8-6-18-36-61-34-16-4-2-3-5-17-35-62-37-19-7-9-21-42-70(44-72-53-32-14-11-26-47(53)59(75)67-50-29-23-39-64-56(50)72)45-73-54-33-15-12-27-48(54)60(76)68-51-30-24-40-65-57(51)73/h10-15,22-33,38-40,61-62H,2-9,16-21,34-37,41-45H2,1H3,(H,66,74)(H,67,75)(H,68,76)
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UniChem
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11.8n/an/an/an/an/an/an/an/a



University of Bologna

Curated by PDSP Ki Database




J Med Chem 36: 3734-7 (1993)


Article DOI: 10.1016/j.bioorg.2015.05.007
BindingDB Entry DOI: 10.7270/Q2W957Q0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM82559
PNG
(methoctramine analog 5)
Show SMILES CN(CCCCCCNCCCCCCCCNCCCCCCN(CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C60H75N13O3/c1-69(43-71-52-31-13-10-25-46(52)58(74)66-49-28-22-38-63-55(49)71)41-20-8-6-18-36-61-34-16-4-2-3-5-17-35-62-37-19-7-9-21-42-70(44-72-53-32-14-11-26-47(53)59(75)67-50-29-23-39-64-56(50)72)45-73-54-33-15-12-27-48(54)60(76)68-51-30-24-40-65-57(51)73/h10-15,22-33,38-40,61-62H,2-9,16-21,34-37,41-45H2,1H3,(H,66,74)(H,67,75)(H,68,76)
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23.4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by PDSP Ki Database




J Med Chem 36: 3734-7 (1993)


Article DOI: 10.1016/j.bioorg.2015.05.007
BindingDB Entry DOI: 10.7270/Q2W957Q0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM82559
PNG
(methoctramine analog 5)
Show SMILES CN(CCCCCCNCCCCCCCCNCCCCCCN(CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C60H75N13O3/c1-69(43-71-52-31-13-10-25-46(52)58(74)66-49-28-22-38-63-55(49)71)41-20-8-6-18-36-61-34-16-4-2-3-5-17-35-62-37-19-7-9-21-42-70(44-72-53-32-14-11-26-47(53)59(75)67-50-29-23-39-64-56(50)72)45-73-54-33-15-12-27-48(54)60(76)68-51-30-24-40-65-57(51)73/h10-15,22-33,38-40,61-62H,2-9,16-21,34-37,41-45H2,1H3,(H,66,74)(H,67,75)(H,68,76)
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UniChem
Article
PubMed
646n/an/an/an/an/an/an/an/a



University of Bologna

Curated by PDSP Ki Database




J Med Chem 36: 3734-7 (1993)


Article DOI: 10.1016/j.bioorg.2015.05.007
BindingDB Entry DOI: 10.7270/Q2W957Q0
More data for this
Ligand-Target Pair