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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 = 'BDBM50487726'   
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))		BDBM50487726
PNG
(CHEMBL2260987)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(cc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C27H29N3O5S/c1-18(15-21-16-29-26-23(21)9-6-10-25(26)35-36(2,33)34)28-17-24(31)19-11-13-20(14-12-19)27(32)30-22-7-4-3-5-8-22/h3-14,16,18,24,28-29,31H,15,17H2,1-2H3,(H,30,32)/t18-,24+/m1/s1
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n/an/an/an/a 160n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at Homo sapiens (human) beta3 adrenoreceptor

Med Chem Res 19: 1121-1140 (2010)


Article DOI: 10.1007/s00044-009-9257-x
BindingDB Entry DOI: 10.7270/Q2057JTC
More data for this
Ligand-Target Pair