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-YTTGMZPUSA-N

Data  2 IC50  2 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 4 hits for monomerid = 50096775   

TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096775(CHEMBL431678 | Cyanoguanidine derivative)
Affinity DataIC50:  65nMAssay 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-1 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096775(CHEMBL431678 | Cyanoguanidine derivative)
Affinity DataEC50:  41nMAssay Description:Inhibition of hepatitis c virus Non structural protein 3 protease/Non structural protein 4A proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096775(CHEMBL431678 | Cyanoguanidine derivative)
Affinity DataEC50:  13nMAssay Description:In vitro efficacy at human beta-3 adrenergic receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50096775(CHEMBL431678 | Cyanoguanidine derivative)
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 DepthDetails ArticlePubMed