BDBM50075888 4-(1-Hexyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl)-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide::4-(1-Hexyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl)-N-{4-[2-(2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide::CHEMBL314893

SMILES CCCCCCn1ncn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O

InChI Key InChIKey=WIUBNXGLGAMZDB-NDEPHWFRSA-N

Data  2 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50075888   

TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50075888(4-(1-Hexyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl)-...)
Affinity DataIC50:  8.50E+3nMAssay Description:Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindololMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50075888(4-(1-Hexyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl)-...)
Affinity DataEC50:  1.00E+7nMAssay Description:In vitro effective concentration against beta-3 adrenergic receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50075888(4-(1-Hexyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl)-...)
Affinity DataEC50:  100nMAssay Description:In vitro effective concentration against beta-3 adrenergic receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50075888(4-(1-Hexyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl)-...)
Affinity DataEC50:  100nMAssay Description:Agonist activity towards Beta-3 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50075888(4-(1-Hexyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl)-...)
Affinity DataIC50: >1.00E+4nMAssay Description:Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindololMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed