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BDBM50106848 4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-phenyl-ethyl}-benzoic acid::CHEMBL320667

SMILES: CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=HBBDVXPPYOLOKQ-OFNKIYASSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50106848   
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))		BDBM50106848
PNG
(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulf...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H26N2O6S/c1-33(31,32)26-21-14-19(11-12-22(21)27)23(28)15-25-20(13-16-5-3-2-4-6-16)17-7-9-18(10-8-17)24(29)30/h2-12,14,20,23,25-28H,13,15H2,1H3,(H,29,30)/t20-,23+/m1/s1
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Similars
PubMed
 8.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair