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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 = 50089492   
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))
BDBM50089492
PNG
(CHEMBL286438 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(cc3)-c3ccccn3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C35H32N6O4S/c42-33(29-4-3-19-36-23-29)24-37-21-18-25-8-14-30(15-9-25)41-46(43,44)31-16-12-28(13-17-31)35-39-34(45-40-35)22-26-6-10-27(11-7-26)32-5-1-2-20-38-32/h1-17,19-20,23,33,37,41-42H,18,21-22,24H2/t33-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 10: 1431-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00268-7
BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50089492
PNG
(CHEMBL286438 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(cc3)-c3ccccn3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C35H32N6O4S/c42-33(29-4-3-19-36-23-29)24-37-21-18-25-8-14-30(15-9-25)41-46(43,44)31-16-12-28(13-17-31)35-39-34(45-40-35)22-26-6-10-27(11-7-26)32-5-1-2-20-38-32/h1-17,19-20,23,33,37,41-42H,18,21-22,24H2/t33-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cAMP levels in CHO cells expressing the recombinant human beta-3 adrenergic receptor


Bioorg Med Chem Lett 10: 1431-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00268-7
BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair