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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-3 Adrenergic Receptor' and Monomerid = 50092024   
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))
BDBM50092024
PNG
(CHEMBL63760 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Show InChI InChI=1S/C30H27F3N6O3S/c31-30(32,33)24-7-5-22(6-8-24)28-19-36-39(37-28)26-11-13-27(14-12-26)43(41,42)38-25-9-3-21(4-10-25)15-17-35-20-29(40)23-2-1-16-34-18-23/h1-14,16,18-19,29,35,38,40H,15,17,20H2/t29-/m0/s1
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PC cid
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Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol


Bioorg Med Chem Lett 10: 2111-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00422-4
BindingDB Entry DOI: 10.7270/Q2X929JR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50092024
PNG
(CHEMBL63760 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Show InChI InChI=1S/C30H27F3N6O3S/c31-30(32,33)24-7-5-22(6-8-24)28-19-36-39(37-28)26-11-13-27(14-12-26)43(41,42)38-25-9-3-21(4-10-25)15-17-35-20-29(40)23-2-1-16-34-18-23/h1-14,16,18-19,29,35,38,40H,15,17,20H2/t29-/m0/s1
Reactome pathway
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to stimulate increase in cAMP in CHO cellsexpressing the cloned human beta-3 adrenergic receptor


Bioorg Med Chem Lett 10: 2111-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00422-4
BindingDB Entry DOI: 10.7270/Q2X929JR
More data for this
Ligand-Target Pair