BDBM50117215 5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine::CHEMBL123705

SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F

InChI Key InChIKey=IOICVMMVGWPRCC-UHFFFAOYSA-N

Data  8 KI  8 IC50

  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 16 hits for monomerid = 50117215   

TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataKi:  0.610nMAssay Description:Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataKi:  0.950nMAssay Description:Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.72-1.24More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataKi:  0.950nMAssay Description:Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Nutrition Research Institute

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataKi:  4nMAssay Description:Inhibition of [3H]-DPCPX binding to human Adenosine A1 receptor expressed in CHO cells at 10000 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Nutrition Research Institute

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataKi:  6nMAssay Description:Inhibition of [3H]-DPCPX binding to human Adenosine A2B receptor expressed in HEK cells at 10000 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Nutrition Research Institute

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataKi:  31nMAssay Description:Inhibition of [3H]-CGS-21,680 binding to human Adenosine A2a receptor expressed in HEK-293 cells at 10000 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Nutrition Research Institute

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Nutrition Research Institute

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Nutrition Research Institute

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Nutrition Research Institute

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataIC50: >1.00E+4nMAssay Description:Binding affinity for human adenosine A2A receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataIC50:  0.610nMAssay Description:Binding affinity for human adenosine A3 receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Nutrition Research Institute

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of specific [3H]-DPCPX binding at human adenosine A2B receptor expressed in HEK-293 cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataIC50:  0.610nMAssay Description:Displacement of [3H]-CGS-21,680 from human Adenosine A3 receptor expressed in HEK-293 cells at 10000 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataIC50:  0.610nMAssay Description:Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Nutrition Research Institute

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of specific [3H]-DPCPX binding at human adenosine A1 receptor expressed in CHO cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataIC50:  0.610nMAssay Description:Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed