BDBM50096763 CHEMBL124668::Cyanoguanidine derivative

SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc(F)c2)=NC#N)cc1)c1cccnc1

InChI Key InChIKey=BOHFHHWJKIJTBC-QFIPXVFZSA-N

Data  2 IC50  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50096763   

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

Curated by ChEMBL
LigandPNGBDBM50096763(CHEMBL124668 | Cyanoguanidine derivative)
Affinity DataIC50:  200nMAssay 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
LigandPNGBDBM50096763(CHEMBL124668 | Cyanoguanidine derivative)
Affinity DataIC50:  590nMAssay 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
LigandPNGBDBM50096763(CHEMBL124668 | Cyanoguanidine derivative)
Affinity DataEC50:  100nMAssay Description:In vitro efficacy at human beta-3 adrenergic receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed