BDBM50096775 CHEMBL431678::Cyanoguanidine derivative

SMILES O[C@@H](CNCCc1ccc(NC(Nc2ccc3N(CCc3c2)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1

InChI Key InChIKey=DUHIBZQWPXSVSJ-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50096775   

TargetBeta-3 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096775(Cyanoguanidine derivative | CHEMBL431678)
Affinity DataEC50:  13nMAssay 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-1 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096775(Cyanoguanidine derivative | CHEMBL431678)
Affinity DataEC50:  41nMAssay 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
TargetBeta-1 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096775(Cyanoguanidine derivative | CHEMBL431678)
Affinity DataIC50: 65nMAssay 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
TargetBeta-2 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096775(Cyanoguanidine derivative | CHEMBL431678)
Affinity DataIC50: 180nMAssay 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