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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 = 'BDBM50018304'   
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)
BDBM50018304
PNG
(11-(2-{2-[(Cycloheptyl-methyl-amino)-methyl]-piper...)
Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCCC1
Show InChI InChI=1S/C28H37N5O2/c1-31(21-11-4-2-3-5-12-21)19-22-13-8-9-18-32(22)20-26(34)33-25-16-7-6-14-23(25)28(35)30-24-15-10-17-29-27(24)33/h6-7,10,14-17,21-22H,2-5,8-9,11-13,18-20H2,1H3,(H,30,35)
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PC cid
PC sid
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Similars

PubMed
n/an/a 70n/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)
BDBM50018304
PNG
(11-(2-{2-[(Cycloheptyl-methyl-amino)-methyl]-piper...)
Show SMILES CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCCC1
Show InChI InChI=1S/C28H37N5O2/c1-31(21-11-4-2-3-5-12-21)19-22-13-8-9-18-32(22)20-26(34)33-25-16-7-6-14-23(25)28(35)30-24-15-10-17-29-27(24)33/h6-7,10,14-17,21-22H,2-5,8-9,11-13,18-20H2,1H3,(H,30,35)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 70n/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