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-UHFFFAOYSA-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 = 50096770   

TargetBeta-2 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096770(Cyanoguanidine derivative | CHEMBL124597)
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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096770(Cyanoguanidine derivative | CHEMBL124597)
Affinity DataEC50:  19nMAssay 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
LigandPNGBDBM50096770(Cyanoguanidine derivative | CHEMBL124597)
Affinity DataIC50: 2.30E+3nMAssay 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