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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50018306'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50018306
PNG
(8-Chloro-11-[2-(2-diethylaminomethyl-piperidin-1-y...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Cl)cc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H30ClN5O2/c1-3-28(4-2)15-18-8-5-6-13-29(18)16-22(31)30-21-11-10-17(25)14-19(21)24(32)27-20-9-7-12-26-23(20)30/h7,9-12,14,18H,3-6,8,13,15-16H2,1-2H3,(H,27,32)
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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 M3


(RAT)
BDBM50018306
PNG
(8-Chloro-11-[2-(2-diethylaminomethyl-piperidin-1-y...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Cl)cc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H30ClN5O2/c1-3-28(4-2)15-18-8-5-6-13-29(18)16-22(31)30-21-11-10-17(25)14-19(21)24(32)27-20-9-7-12-26-23(20)30/h7,9-12,14,18H,3-6,8,13,15-16H2,1-2H3,(H,27,32)
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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