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BDBM50025035 CHEMBL3337859

SMILES: [Br-].[Br-].[H][C@]12C[C@@]3([H])C4=CO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(CC=C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(CC=C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H]

InChI Key: InChIKey=CGXQWTJFJFBOAR-SIESTWEESA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50025035   
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)		BDBM50025035
PNG
(CHEMBL3337859)
Show SMILES [Br-].[Br-].[H][C@]12C[C@@]3([H])C4=CO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(CC=C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(CC=C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:26|
Show InChI InChI=1S/C43H48N4O2/c1-3-16-46-18-14-42-31-10-6-8-12-33(31)45-38(42)36-28(21-34(42)46)26(23-46)13-20-48-40(36)44-32-11-7-5-9-30(32)43-15-19-47(17-4-2)24-27-25-49-41(45)37(39(43)44)29(27)22-35(43)47/h3-13,25,28-29,34-41H,1-2,14-24H2/q+2/t28-,29-,34-,35?,36+,37+,38-,39-,40+,41+,42+,43+,46?,47?/m0/s1
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Similars
Article
PubMed
n/an/an/an/a 11n/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting

J Nat Prod 77: 2006-13 (2014)


Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8
More data for this
Ligand-Target Pair