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SMILES: CCCN(CCC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12

InChI Key: InChIKey=LKNIGFDMQKJKEG-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50018303   
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)
BDBM50018303
PNG
(11-[2-(2-Dipropylaminomethyl-piperidin-1-yl)-acety...)
Show SMILES CCCN(CCC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C26H35N5O2/c1-3-15-29(16-4-2)18-20-10-7-8-17-30(20)19-24(32)31-23-13-6-5-11-21(23)26(33)28-22-12-9-14-27-25(22)31/h5-6,9,11-14,20H,3-4,7-8,10,15-19H2,1-2H3,(H,28,33)
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PC sid
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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Binding affinity to the rat cardiac muscarinic acetylcholine receptor M2 using 0.3 nM [3H]-N-methylscopolamine as radioligand


J Med Chem 32: 1718-24 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9Q4Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50018303
PNG
(11-[2-(2-Dipropylaminomethyl-piperidin-1-yl)-acety...)
Show SMILES CCCN(CCC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C26H35N5O2/c1-3-15-29(16-4-2)18-20-10-7-8-17-30(20)19-24(32)31-23-13-6-5-11-21(23)26(33)28-22-12-9-14-27-25(22)31/h5-6,9,11-14,20H,3-4,7-8,10,15-19H2,1-2H3,(H,28,33)
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of rat submandibular muscarinic (M3) receptor isolated from tissue homogenates


J Med Chem 37: 3775-88 (1994)


BindingDB Entry DOI: 10.7270/Q2QC02JX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018303
PNG
(11-[2-(2-Dipropylaminomethyl-piperidin-1-yl)-acety...)
Show SMILES CCCN(CCC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C26H35N5O2/c1-3-15-29(16-4-2)18-20-10-7-8-17-30(20)19-24(32)31-23-13-6-5-11-21(23)26(33)28-22-12-9-14-27-25(22)31/h5-6,9,11-14,20H,3-4,7-8,10,15-19H2,1-2H3,(H,28,33)
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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of muscarinic (M2) receptor isolated from rat atria


J Med Chem 37: 3775-88 (1994)


BindingDB Entry DOI: 10.7270/Q2QC02JX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50018303
PNG
(11-[2-(2-Dipropylaminomethyl-piperidin-1-yl)-acety...)
Show SMILES CCCN(CCC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C26H35N5O2/c1-3-15-29(16-4-2)18-20-10-7-8-17-30(20)19-24(32)31-23-13-6-5-11-21(23)26(33)28-22-12-9-14-27-25(22)31/h5-6,9,11-14,20H,3-4,7-8,10,15-19H2,1-2H3,(H,28,33)
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Dr. Karl Thomae GmbH

Curated by ChEMBL


Assay Description
Binding affinity for glandular muscarinic acetylcholine receptor M3 in rat assayed using 0.3 nM [3H]-N-methylscopolamine as radioligand


J Med Chem 32: 1718-24 (1989)


BindingDB Entry DOI: 10.7270/Q2XG9Q4Q
More data for this
Ligand-Target Pair