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BDBM50074553 2-{4-[4-(2-{1-[4-(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)butyl]-4-pyridiniumyl}ethyl)-1-pyridiniumyl]butyl}-1,3-isoindolinedione; dibromide::CHEMBL171776

SMILES: O=C1N(CCC[n+]2ccc(CCc3cc[n+](CCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12

InChI Key: InChIKey=KTNJIBZFBNASRS-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074553   
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
Cholinergic, muscarinic


(GUINEA PIG)		BDBM50074553
PNG
(2-{4-[4-(2-{1-[4-(1,3-dioxo-2,3-dihydro-1H-2-isoin...)
Show SMILES O=C1N(CCC[n+]2ccc(CCc3cc[n+](CCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C34H32N4O4/c39-31-27-7-1-2-8-28(27)32(40)37(31)19-5-17-35-21-13-25(14-22-35)11-12-26-15-23-36(24-16-26)18-6-20-38-33(41)29-9-3-4-10-30(29)34(38)42/h1-4,7-10,13-16,21-24H,5-6,11-12,17-20H2/q+2
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.34E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Allosteric potency against the dissociation of radioligand [3H]-N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2

J Med Chem 42: 849-58 (1999)


Article DOI: 10.1021/jm981023f
BindingDB Entry DOI: 10.7270/Q22806RB
More data for this
Ligand-Target Pair