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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 = 'BDBM50092026'   
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))		BDBM50092026
PNG
(4-[4-(3,4-Difluoro-phenoxymethyl)-[1,2,3]triazol-2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28F2N6O4S/c31-28-12-9-26(16-29(28)32)42-20-24-18-35-38(36-24)25-7-10-27(11-8-25)43(40,41)37-23-5-3-21(4-6-23)13-15-34-19-30(39)22-2-1-14-33-17-22/h1-12,14,16-18,30,34,37,39H,13,15,19-20H2/t30-/m0/s1
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PubMed
n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to stimulate increase in cAMP in CHO cellsexpressing the cloned human beta-3 adrenergic receptor

Bioorg Med Chem Lett 10: 2111-4 (2000)


BindingDB Entry DOI: 10.7270/Q2X929JR
More data for this
Ligand-Target Pair