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SMILES: COC(=O)c1ccc(COc2cccc(c2)C(NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50595408   
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


(Homo sapiens (Human))		BDBM50595408
PNG
(CHEMBL5195203)
Show SMILES COC(=O)c1ccc(COc2cccc(c2)C(NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wD:21.21,(-11.34,-1.54,;-10,-.77,;-8.67,-1.54,;-8.67,-3.08,;-7.34,-.77,;-6,-1.54,;-4.67,-.77,;-4.67,.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;.67,3.85,;2,3.08,;2,1.54,;.67,.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,1.54,;8.67,.77,;8.67,-.77,;10,-1.54,;11.34,-.77,;11.34,.77,;10,1.54,;10.71,.31,;9.29,-.31,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;2,-1.54,;-6,1.54,;-7.34,.77,)|
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PC cid
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Article
PubMed
 1.60n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL




J Med Chem 48: 4500-3 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS
More data for this
Ligand-Target Pair