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BDBM50326553 2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(methylsulfonamido)phenyl)ethylamino)propyl)phenyl)-N-(3-phenylpropyl)acetamide::CHEMBL1243222

SMILES: C[C@H](Cc1cccc(CC(=O)NCCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1

InChI Key: InChIKey=WNUBTKNYYAYBAW-PIKZIKFNSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326553   
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-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50326553
PNG
(2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(methyls...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C29H37N3O5S/c1-21(31-20-28(34)25-13-14-27(33)26(19-25)32-38(2,36)37)16-23-10-6-11-24(17-23)18-29(35)30-15-7-12-22-8-4-3-5-9-22/h3-6,8-11,13-14,17,19,21,28,31-34H,7,12,15-16,18,20H2,1-2H3,(H,30,35)/t21-,28+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/an/an/a 0.0400n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair