BDBM50213096 (S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)ethylamino]ethyl}-1,3-benzenediol::CHEMBL388177::US10617654, Compound (S,R)-5::US9492405, (S,R)-5::US9492405, 38

SMILES C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1

InChI Key InChIKey=QGUPDXLZKDANGO-UHFFFAOYSA-N

Data  6 KI  1 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50213096   

TargetBeta-2 adrenergic receptor(Human)
Department Of Health And Human Services

US Patent
LigandChemical structure of BindingDB Monomer ID 50213096BDBM50213096((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Affinity DataIC50: 14.8nMT: 2°CAssay Description:To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 cel...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2016
Entry Details
US Patent

TargetBeta-2 adrenergic receptor(Human)
Department Of Health And Human Services

US Patent
LigandChemical structure of BindingDB Monomer ID 50213096BDBM50213096((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Affinity DataKd:  1.78E+3nMAssay Description:HEK 293 cells stability transfected with cDNA encoding human β2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2020
Entry Details
US Patent

TargetBeta-2 adrenergic receptor(Human)
Department Of Health And Human Services

US Patent
LigandChemical structure of BindingDB Monomer ID 50213096BDBM50213096((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Affinity DataKd:  1.78E+3nMpH: 7.7Assay Description:HEK 293 cells stability transfected with cDNA encoding human beta2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) wer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2016
Entry Details
US Patent

TargetBeta-2 adrenergic receptor(Human)
Department Of Health And Human Services

US Patent
LigandChemical structure of BindingDB Monomer ID 50213096BDBM50213096((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Affinity DataKi:  1.78E+3nM ΔG°:  -7.28kcal/molepH: 7.8 T: 2°CAssay Description:Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2016
Entry Details
US Patent

TargetBeta-2 adrenergic receptor(Human)
Department Of Health And Human Services

US Patent
LigandChemical structure of BindingDB Monomer ID 50213096BDBM50213096((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Affinity DataKi:  1.80E+3nMAssay Description:Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Rat)
Medical University of Lublin

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50213096BDBM50213096((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Affinity DataKi:  3.47E+4nMAssay Description:Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Rat)
Medical University of Lublin

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50213096BDBM50213096((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Affinity DataKi:  3.47E+4nM ΔG°:  -5.65kcal/molepH: 7.8 T: 2°CAssay Description:Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2016
Entry Details
US Patent

TargetBeta-2 adrenergic receptor(Human)
Department Of Health And Human Services

US Patent
LigandChemical structure of BindingDB Monomer ID 50213096BDBM50213096((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Affinity DataKi:  1.78E+6nMAssay Description:HEK 293 cells stability transfected with cDNA encoding human β2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2020
Entry Details
US Patent

TargetBeta-1 adrenergic receptor(Mouse)
Department Of Health and Human Services

US Patent
LigandChemical structure of BindingDB Monomer ID 50213096BDBM50213096((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Affinity DataKi:  3.47E+7nMAssay Description:β1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2020
Entry Details
US Patent