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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 = 'BDBM50092034'   
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))		BDBM50092034
PNG
(4-[4-(2,6-Difluoro-benzyl)-[1,2,3]triazol-2-yl]-N-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3c(F)cccc3F)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28F2N6O3S/c31-28-4-1-5-29(32)27(28)17-24-19-35-38(36-24)25-10-12-26(13-11-25)42(40,41)37-23-8-6-21(7-9-23)14-16-34-20-30(39)22-3-2-15-33-18-22/h1-13,15,18-19,30,34,37,39H,14,16-17,20H2/t30-/m0/s1
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n/an/an/an/a 24n/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