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SMILES: CCN(CC)CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

InChI Key: InChIKey=HAXVMUQNFPWSPB-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50018312   
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 M3


(RAT)
BDBM50018312
PNG
(11-[2-(4-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-11-14-28(15-12-18)17-22(30)29-21-10-6-5-8-19(21)24(31)26-20-9-7-13-25-23(20)29/h5-10,13,18H,3-4,11-12,14-17H2,1-2H3,(H,26,31)
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PubMed
n/an/a 4.00E+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
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50018312
PNG
(11-[2-(4-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-11-14-28(15-12-18)17-22(30)29-21-10-6-5-8-19(21)24(31)26-20-9-7-13-25-23(20)29/h5-10,13,18H,3-4,11-12,14-17H2,1-2H3,(H,26,31)
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n/an/a 800n/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)
BDBM50018312
PNG
(11-[2-(4-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-11-14-28(15-12-18)17-22(30)29-21-10-6-5-8-19(21)24(31)26-20-9-7-13-25-23(20)29/h5-10,13,18H,3-4,11-12,14-17H2,1-2H3,(H,26,31)
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PubMed
n/an/a 4.00E+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)
BDBM50018312
PNG
(11-[2-(4-Diethylaminomethyl-piperidin-1-yl)-acetyl...)
Show SMILES CCN(CC)CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-11-14-28(15-12-18)17-22(30)29-21-10-6-5-8-19(21)24(31)26-20-9-7-13-25-23(20)29/h5-10,13,18H,3-4,11-12,14-17H2,1-2H3,(H,26,31)
PDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 800n/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