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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 = 'BDBM50223436'   
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))
BDBM50223436
PNG
(CHEMBL428027 | N-(2,6-dimethoxybenzyl)-5-((R)-2-((...)
Show SMILES COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2n1C
Show InChI InChI=1S/C31H37N3O6/c1-19(32-17-28(37)21-9-11-27(36)23(14-21)18-35)12-20-8-10-25-22(13-20)15-26(34(25)2)31(38)33-16-24-29(39-3)6-5-7-30(24)40-4/h5-11,13-15,19,28,32,35-37H,12,16-18H2,1-4H3,(H,33,38)/t19-,28+/m1/s1
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Article
PubMed
n/an/an/an/a 0.706n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair