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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 = 50091773   
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))
BDBM50091773
PNG
(4-[4-(4-Fluoro-benzyl)-thiazol-2-yl]-N-{4-[2-((R)-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(Cc3ccc(F)cc3)cs2)cc1)c1cccnc1
Show InChI InChI=1S/C31H29FN4O3S2/c32-26-9-3-23(4-10-26)18-28-21-40-31(35-28)24-7-13-29(14-8-24)41(38,39)36-27-11-5-22(6-12-27)15-17-34-20-30(37)25-2-1-16-33-19-25/h1-14,16,19,21,30,34,36-37H,15,17-18,20H2/t30-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Beta-2 adrenergic receptor expressed in CHO cells using [125I]-iodocyanopindolol


Bioorg Med Chem Lett 10: 1971-3 (2001)


Article DOI: 10.1016/s0960-894x(00)00390-5
BindingDB Entry DOI: 10.7270/Q26T0KV0
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50091773
PNG
(4-[4-(4-Fluoro-benzyl)-thiazol-2-yl]-N-{4-[2-((R)-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(Cc3ccc(F)cc3)cs2)cc1)c1cccnc1
Show InChI InChI=1S/C31H29FN4O3S2/c32-26-9-3-23(4-10-26)18-28-21-40-31(35-28)24-7-13-29(14-8-24)41(38,39)36-27-11-5-22(6-12-27)15-17-34-20-30(37)25-2-1-16-33-19-25/h1-14,16,19,21,30,34,36-37H,15,17-18,20H2/t30-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulated increase in cAMP in CHO cells expressing human beta-3 receptor


Bioorg Med Chem Lett 10: 1971-3 (2001)


Article DOI: 10.1016/s0960-894x(00)00390-5
BindingDB Entry DOI: 10.7270/Q26T0KV0
More data for this
Ligand-Target Pair