BDBM50586681 CHEMBL5077939

SMILES Cc1nc(N)sc1CCCNC(N)=NC(=O)NCCCCCCCCNC(=O)CCCCCN1C(=CC=CC=CC2=[N+](CCCCS(O)(=O)=O)c3ccccc3C2(C)C)c2cc(ccc2C1(C)C)S([O-])(=O)=O

InChI Key InChIKey=RNYAPRLQCJMVTJ-UHFFFAOYSA-N

Data  1 KI  1 Kd  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 = 50586681   

TargetHistamine H2 receptor(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50586681(CHEMBL5077939)
Affinity DataKi:  263nMAssay Description:Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in Sf9 cell membranes by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetHistamine H2 receptor(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50586681(CHEMBL5077939)
Affinity DataEC50:  759nMAssay Description:Agonist activity at NlucN/mini-Gi protein-fused human H2R stably expressed in HEK293T cells assessed as induction of mini-Gi protein recruitment usin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetHistamine H2 receptor(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50586681(CHEMBL5077939)
Affinity DataKd: <1.00E+3nMAssay Description:Binding affinity to human H2R expressed in HEK293T-qs5-HA cells by flow cytometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetHistamine H2 receptor(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50586681(CHEMBL5077939)
Affinity DataEC50:  1.29E+3nMAssay Description:Agonist activity at human H2 receptor expressed in Sf9 cell membranes co-exprssing GsalphaS assessed as stimulation of [35S]GTPgammaS binding incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed