BDBM50581961 CHEMBL5088372

SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCOCCN=[N+]=[N-]

InChI Key InChIKey=SMLYNLQHAYCBJP-UHFFFAOYSA-N

Data  9 KI

  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 9 hits for monomerid = 50581961   

TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50581961(CHEMBL5088372)
Affinity DataKi:  2.20nMAssay Description:Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50581961(CHEMBL5088372)
Affinity DataKi:  3.30nMAssay Description:Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50581961(CHEMBL5088372)
Affinity DataKi:  5nMAssay Description:Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50581961(CHEMBL5088372)
Affinity DataKi:  5nMAssay Description:Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50581961(CHEMBL5088372)
Affinity DataKi:  8.30nMAssay Description:Antagonist activity at human adenosine A3 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50581961(CHEMBL5088372)
Affinity DataKi:  14nMAssay Description:Displacement of [3H] DPCPX from human adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50581961(CHEMBL5088372)
Affinity DataKi:  14nMAssay Description:Displacement of [3H] DPCPX from human adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50581961(CHEMBL5088372)
Affinity DataKi:  36nMAssay Description:Antagonist activity at human adenosine A2A receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50581961(CHEMBL5088372)
Affinity DataKi:  96nMAssay Description:Antagonist activity at human adenosine A2B receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed