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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 = 'BDBM50223442'   
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))
BDBM50223442
PNG
(CHEMBL237709 | N-(2,6-dimethoxybenzyl)-1-ethyl-5-(...)
Show SMILES CCn1c(cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc12)C(=O)NCc1c(OC)cccc1OC
Show InChI InChI=1S/C32H39N3O6/c1-5-35-26-11-9-21(13-20(2)33-18-29(38)22-10-12-28(37)24(15-22)19-36)14-23(26)16-27(35)32(39)34-17-25-30(40-3)7-6-8-31(25)41-4/h6-12,14-16,20,29,33,36-38H,5,13,17-19H2,1-4H3,(H,34,39)/t20-,29+/m1/s1
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Article
PubMed
n/an/an/an/a 2.60n/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