BDBM50096762 CHEMBL338618::Cyanoguanidine derivative

SMILES O[C@@H](CNCCc1ccc(NC(Nc2cc(Cl)cc(Cl)c2)=NC#N)cc1)c1cccnc1

InChI Key InChIKey=SCPWXWVQKKHCDG-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 = 50096762   

TargetBeta-3 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096762(Cyanoguanidine derivative | CHEMBL338618)
Affinity DataEC50:  89nMAssay Description:In vitro efficacy at human beta-3 adrenergic receptor.More 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
LigandPNGBDBM50096762(Cyanoguanidine derivative | CHEMBL338618)
Affinity DataIC50: 140nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096762(Cyanoguanidine derivative | CHEMBL338618)
Affinity DataIC50: 290nMAssay Description:Binding affinity towards human Beta-1 adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed