BDBM50322845 3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione::8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-3-methyl-1-propyl-1H-purine-2,6(3H,7H)-dione::CHEMBL260975

SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1

InChI Key InChIKey=BWVLVKYENDCAHC-UHFFFAOYSA-N

Data  8 KI

  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 8 hits for monomerid = 50322845   

TargetAdenosine receptor A2b(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50322845(3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)...)
Affinity DataKi:  14nMAssay Description:Antagonist activity against human adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50322845(3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)...)
Affinity DataKi:  14nMAssay Description:Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50322845(3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)...)
Affinity DataKi:  408nMAssay Description:Antagonist activity against human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50322845(3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)...)
Affinity DataKi:  408nMAssay Description:Displacement of [125I]ABMECA from human recombinant adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM50322845(3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)...)
Affinity DataKi:  441nMAssay Description:Displacement of [3H]CPX from human recombinant adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Cv Therapeutics

Curated by ChEMBL
LigandPNGBDBM50322845(3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)...)
Affinity DataKi:  441nMAssay Description:Antagonist activity against human adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50322845(3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)...)
Affinity DataKi:  450nMAssay Description:Antagonist activity against human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50322845(3-methyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)...)
Affinity DataKi:  450nMAssay Description:Displacement of [3H]ZM-241385 from human recombinant adenosine A2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed