BDBM50543285 CHEMBL4637356

SMILES CC1(C)C(=CC=CC=CC2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCCCCCNc2c(NCCCOc3cccc(CN4CCCCC4)c3)c(=O)c2=O)c2ccccc12

InChI Key InChIKey=VSMAGBBULKSMOG-UHFFFAOYSA-N

Data  1 KI  2 Kd

  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 3 hits for monomerid = 50543285   

TargetHistamine H2 receptor(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50543285(CHEMBL4637356)
Affinity DataKd:  48nMAssay Description:Binding affinity to human H2R expressed in human HEK293T cells incubated for 90 mins by flowcytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetHistamine H2 receptor(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50543285(CHEMBL4637356)
Affinity DataKd:  16nMAssay Description:Binding affinity to human H2R expressed in human HEK293T cells incubated for 60 mins by automated cell imaging analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetHistamine H2 receptor(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50543285(CHEMBL4637356)
Affinity DataKi:  78nMAssay Description:Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in baculovirus infected Sf9 cells incubated for 60 mins by scintillation count...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed