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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50027817'   
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
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50027817
PNG
(CHEMBL345304)
Show SMILES C[C@H](CNc1ccc(CNC(C)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H26ClN3O2/c1-14(22-13-20(26)17-4-3-5-18(21)10-17)11-24-19-8-6-16(7-9-19)12-23-15(2)25/h3-10,14,20,22,24,26H,11-13H2,1-2H3,(H,23,25)/t14-,20+/m1/s1
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PubMed
n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration

J Med Chem 45: 567-83 (2002)


BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair