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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 Ligand = 'BDBM50287799'   
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287799
PNG
(4-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C19H26N2O4S/c1-14(10-18-21-12-17(26-18)8-5-9-19(23)24)20-11-15(22)13-25-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,20,22H,5,8-11,13H2,1H3,(H,23,24)/t14-,15+/m1/s1
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PC cid
PC sid
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Article
760n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta3 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287799
PNG
(4-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C19H26N2O4S/c1-14(10-18-21-12-17(26-18)8-5-9-19(23)24)20-11-15(22)13-25-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,20,22H,5,8-11,13H2,1H3,(H,23,24)/t14-,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/an/an/a 630n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta3 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair