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BDBM50326551 CHEMBL1243285::N-(2-ethoxybenzyl)-2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(methylsulfonamido)phenyl)ethylamino)propyl)phenyl)acetamide

SMILES: CCOc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1

InChI Key: InChIKey=XGNQEJUXRNBYCQ-HRFSGMKKSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326551   
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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326551
PNG
(CHEMBL1243285 | N-(2-ethoxybenzyl)-2-(3-((R)-2-((R...)
Show SMILES CCOc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1
Show InChI InChI=1S/C29H37N3O6S/c1-4-38-28-11-6-5-10-24(28)18-31-29(35)16-22-9-7-8-21(15-22)14-20(2)30-19-27(34)23-12-13-26(33)25(17-23)32-39(3,36)37/h5-13,15,17,20,27,30,32-34H,4,14,16,18-19H2,1-3H3,(H,31,35)/t20-,27+/m1/s1
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Article
PubMed
n/an/an/an/a 0.0500n/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