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SMILES: O=C(CN1CCCCC1CN1CCCC1)N1c2ccccc2C(=O)Nc2cccnc12

InChI Key: InChIKey=IKTJYOBPKIOLOH-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 = 50018310   
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)
BDBM50018310
PNG
(11-[2-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-ace...)
Show SMILES O=C(CN1CCCCC1CN1CCCC1)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H29N5O2/c30-22(17-28-15-4-3-8-18(28)16-27-13-5-6-14-27)29-21-11-2-1-9-19(21)24(31)26-20-10-7-12-25-23(20)29/h1-2,7,9-12,18H,3-6,8,13-17H2,(H,26,31)
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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 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 M3


(RAT)
BDBM50018310
PNG
(11-[2-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-ace...)
Show SMILES O=C(CN1CCCCC1CN1CCCC1)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H29N5O2/c30-22(17-28-15-4-3-8-18(28)16-27-13-5-6-14-27)29-21-11-2-1-9-19(21)24(31)26-20-10-7-12-25-23(20)29/h1-2,7,9-12,18H,3-6,8,13-17H2,(H,26,31)
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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 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)
BDBM50018310
PNG
(11-[2-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-ace...)
Show SMILES O=C(CN1CCCCC1CN1CCCC1)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H29N5O2/c30-22(17-28-15-4-3-8-18(28)16-27-13-5-6-14-27)29-21-11-2-1-9-19(21)24(31)26-20-10-7-12-25-23(20)29/h1-2,7,9-12,18H,3-6,8,13-17H2,(H,26,31)
PDB

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PC cid
PC sid
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PubMed
n/an/a 560n/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 M2


(RAT)
BDBM50018310
PNG
(11-[2-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-ace...)
Show SMILES O=C(CN1CCCCC1CN1CCCC1)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H29N5O2/c30-22(17-28-15-4-3-8-18(28)16-27-13-5-6-14-27)29-21-11-2-1-9-19(21)24(31)26-20-10-7-12-25-23(20)29/h1-2,7,9-12,18H,3-6,8,13-17H2,(H,26,31)
PDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 560n/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