BDBM50583648 CHEMBL5092175

SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1

InChI Key InChIKey=CRPDTAHDJGSKCI-UHFFFAOYSA-N

Data  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50583648   

TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50583648(CHEMBL5092175)
Affinity DataKd:  34nMAssay Description:Binding affinity to N-terminal NLuc tagged human A1 adenosine receptor expressed in Flp-In-CHO cells by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
Monash University

Curated by ChEMBL
LigandPNGBDBM50583648(CHEMBL5092175)
Affinity DataKd:  35nMAssay Description:Binding affinity to N-terminal NLuc tagged rat A1 adenosine receptor expressed in Flp-In-CHO cells by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50583648(CHEMBL5092175)
Affinity DataKd:  6.20nMAssay Description:Antagonist activity at N-terminal NLuc tagged human A3 adenosine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed