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SMILES: COc1ccc(CNCC(O)COc2ccc3N(Cc4ccccc4)CCCc3c2)cc1OC

InChI Key: InChIKey=LYECPEAOXPXURS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50275222   
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
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50275222
PNG
(1-(1-Benzyl-1,2,3,4-tetrahydroquinolin-6-yloxy)-3-...)
Show SMILES COc1ccc(CNCC(O)COc2ccc3N(Cc4ccccc4)CCCc3c2)cc1OC
Show InChI InChI=1S/C28H34N2O4/c1-32-27-13-10-22(15-28(27)33-2)17-29-18-24(31)20-34-25-11-12-26-23(16-25)9-6-14-30(26)19-21-7-4-3-5-8-21/h3-5,7-8,10-13,15-16,24,29,31H,6,9,14,17-20H2,1-2H3
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Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocynopindolol from human adrenergic beta3 receptor

Bioorg Med Chem 17: 830-47 (2009)


Article DOI: 10.1016/j.bmc.2008.11.030
BindingDB Entry DOI: 10.7270/Q2RR1Z3B
More data for this
Ligand-Target Pair