BDBM50096782 CHEMBL439794::Cyanoguanidine derivative

SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc3ccccc23)=NC#N)cc1)c1cccnc1

InChI Key InChIKey=ZATHFADCCIHSFX-SANMLTNESA-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50096782   

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

Curated by ChEMBL
LigandPNGBDBM50096782(CHEMBL439794 | Cyanoguanidine derivative)
Affinity DataIC50:  570nMAssay Description:Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096782(CHEMBL439794 | Cyanoguanidine derivative)
Affinity DataIC50:  480nMAssay Description:Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096782(CHEMBL439794 | Cyanoguanidine derivative)
Affinity DataEC50:  42nMAssay Description:In vitro efficacy at human beta-3 adrenergic receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed