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BDBM50099157 CHEMBL435307::N-[2-Hydroxy-5-((S)-2-hydroxy-3-{1-[4-(4-oxo-2-piperidin-1-yl-4H-thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-propoxy)-phenyl]-methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc(OC[C@@H](O)CNC2CCN(CC2)c2ccc(\C=C3/SC(=NC3=O)N3CCCCC3)cc2)ccc1O

InChI Key: InChIKey=SSXQWBKAUHDGSW-VNIQIGACSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50099157   
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))		BDBM50099157
PNG
(CHEMBL435307 | N-[2-Hydroxy-5-((S)-2-hydroxy-3-{1-...)
Show SMILES CS(=O)(=O)Nc1cc(OC[C@@H](O)CNC2CCN(CC2)c2ccc(\C=C3/SC(=NC3=O)N3CCCCC3)cc2)ccc1O |c:28|
Show InChI InChI=1S/C30H39N5O6S2/c1-43(39,40)33-26-18-25(9-10-27(26)37)41-20-24(36)19-31-22-11-15-34(16-12-22)23-7-5-21(6-8-23)17-28-29(38)32-30(42-28)35-13-3-2-4-14-35/h5-10,17-18,22,24,31,33,36-37H,2-4,11-16,19-20H2,1H3/b28-17-/t24-/m0/s1
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PubMed
n/an/an/an/a 1n/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