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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor and beta-3 adrenergic receptor' and Ligand = 'BDBM50326550'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50326550
PNG
(CHEMBL1243317 | N-(3,4-dimethylbenzyl)-2-(3-((R)-2...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCc2ccc(C)c(C)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C29H37N3O5S/c1-19-8-9-24(12-20(19)2)17-31-29(35)15-23-7-5-6-22(14-23)13-21(3)30-18-28(34)25-10-11-27(33)26(16-25)32-38(4,36)37/h5-12,14,16,21,28,30,32-34H,13,15,17-18H2,1-4H3,(H,31,35)/t21-,28+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0600n/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