BDBM50096770 CHEMBL124597::Cyanoguanidine derivative

SMILES O[C@@H](CNCCc1ccc2cc(NC(Nc3ccc4N(CCc4c3)c3nc(cs3)-c3ccc(OC(F)(F)F)cc3)=NC#N)ccc2c1)c1cccnc1

InChI Key InChIKey=OTMMZIIJTQUBGL-BHVANESWSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50096770   

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

Curated by ChEMBL
LigandPNGBDBM50096770(CHEMBL124597 | Cyanoguanidine derivative)
Affinity DataIC50:  7.10E+3nMAssay 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
LigandPNGBDBM50096770(CHEMBL124597 | Cyanoguanidine derivative)
Affinity DataIC50:  2.30E+3nMAssay 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
LigandPNGBDBM50096770(CHEMBL124597 | Cyanoguanidine derivative)
Affinity DataEC50:  19nMAssay Description:In vitro efficacy at human beta-3 adrenergic receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed