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BDBM50092030 4-{4-[(4-Fluoro-phenyl)-hydroxy-methyl]-[1,2,3]triazol-2-yl}-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide::CHEMBL305476

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)C(O)c2ccc(F)cc2)cc1)c1cccnc1

InChI Key: InChIKey=IRIFYJVQERPQGU-UFXYQILXSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50092030   
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))		BDBM50092030
PNG
(4-{4-[(4-Fluoro-phenyl)-hydroxy-methyl]-[1,2,3]tri...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)C(O)c2ccc(F)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H29FN6O4S/c31-24-7-5-22(6-8-24)30(39)28-19-34-37(35-28)26-11-13-27(14-12-26)42(40,41)36-25-9-3-21(4-10-25)15-17-33-20-29(38)23-2-1-16-32-18-23/h1-14,16,18-19,29-30,33,36,38-39H,15,17,20H2/t29-,30?/m0/s1
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Similars
PubMed
n/an/an/an/a 3.30n/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