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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 = 'BDBM50223444'   
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))
BDBM50223444
PNG
(CHEMBL236042 | N-(3-methoxyphenethyl)-5-((R)-2-((R...)
Show SMILES COc1cccc(CCNC(=O)c2cc3cc(C[C@@H](C)NC[C@H](O)c4ccc(O)c(CO)c4)ccc3[nH]2)c1
Show InChI InChI=1S/C30H35N3O5/c1-19(32-17-29(36)22-7-9-28(35)24(15-22)18-34)12-21-6-8-26-23(13-21)16-27(33-26)30(37)31-11-10-20-4-3-5-25(14-20)38-2/h3-9,13-16,19,29,32-36H,10-12,17-18H2,1-2H3,(H,31,37)/t19-,29+/m1/s1
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Article
PubMed
n/an/an/an/a 0.254n/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