BDBM50176058 2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine::2-butyl-9-methyl-8-(2H-1,2,3-triazol-2-yl)-9H-purin-6-amine::CHEMBL197669::ST-1535

SMILES CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1

InChI Key InChIKey=CYYQMAWUIRPCNW-UHFFFAOYSA-N

Data  13 KI  1 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 14 hits for monomerid = 50176058   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi:  6.60nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi:  6.60nMAssay Description:Binding affinity to human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi:  6.60nMAssay Description:Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi:  6.60nMAssay Description:Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 1 hr by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi:  72nMAssay Description:Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPXMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi:  72nMAssay Description:Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi:  79nMAssay Description:Inhibition of human recombinant adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi:  100nMAssay Description:Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-K1 cells after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi:  352nMAssay Description:Inhibition of human recombinant adenosine receptor A2bMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi:  352nMAssay Description:Binding affinity towards human Adenosine A2b receptor expressed in HEK293 cells using 5 nM [3H]DPCPXMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity towards human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human recombinant adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50176058(2-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-...)
Affinity DataIC50:  430nMAssay Description:Antagonist activity at human adenosine A2A receptor expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP accumulation incubated for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed