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BDBM50099159 CHEMBL174442::N-[2-Hydroxy-5-((R)-1-hydroxy-2-{1-[4-(4-oxo-2-piperidin-1-yl-4H-thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-ethyl)-phenyl]-methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1

InChI Key: InChIKey=IGWMNIQFTONRGL-MODQRLIRSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50099159   
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))		BDBM50099159
PNG
(CHEMBL174442 | N-[2-Hydroxy-5-((R)-1-hydroxy-2-{1-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1 |c:31|
Show InChI InChI=1S/C29H37N5O5S2/c1-41(38,39)32-24-18-21(7-10-25(24)35)26(36)19-30-22-11-15-33(16-12-22)23-8-5-20(6-9-23)17-27-28(37)31-29(40-27)34-13-3-2-4-14-34/h5-10,17-18,22,26,30,32,35-36H,2-4,11-16,19H2,1H3/b27-17-/t26-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair