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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50160814'   
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


(Homo sapiens (Human))
BDBM50160814
PNG
(CHEMBL183552 | Methanesulfonic acid 3-[(R)-2-((R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C31H33N3O4S/c1-21(15-26-19-34-31-28(26)11-6-12-30(31)38-39(2,36)37)32-20-29(35)25-9-5-10-27(17-25)33-18-22-13-14-23-7-3-4-8-24(23)16-22/h3-14,16-17,19,21,29,32-35H,15,18,20H2,1-2H3/t21-,29+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 44n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at Homo sapiens (human) beta2 adrenoreceptor


Med Chem Res 19: 1121-1140 (2010)


Article DOI: 10.1007/s00044-009-9257-x
BindingDB Entry DOI: 10.7270/Q2057JTC
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160814
PNG
(CHEMBL183552 | Methanesulfonic acid 3-[(R)-2-((R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C31H33N3O4S/c1-21(15-26-19-34-31-28(26)11-6-12-30(31)38-39(2,36)37)32-20-29(35)25-9-5-10-27(17-25)33-18-22-13-14-23-7-3-4-8-24(23)16-22/h3-14,16-17,19,21,29,32-35H,15,18,20H2,1-2H3/t21-,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.60n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair