BDBM50070166 CHEMBL268289::Heptanoic acid [4-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylsulfamoyl)-phenyl]-amide

SMILES CCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1

InChI Key InChIKey=MLNMRGQVYKLGOM-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50070166   

TargetBeta-3 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50070166(Heptanoic acid [4-(4-{2-[(S)-2-hydroxy-3-(4-hydrox...)
Affinity DataEC50:  1.40nMAssay Description:Agonist activity towards human Beta-3 adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50070166(Heptanoic acid [4-(4-{2-[(S)-2-hydroxy-3-(4-hydrox...)
Affinity DataIC50: 230nMAssay Description:In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]iodocyanopindolol.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50070166(Heptanoic acid [4-(4-{2-[(S)-2-hydroxy-3-(4-hydrox...)
Affinity DataIC50: 340nMAssay Description:In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]iodocyanopindolol.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed