BDBM50095790 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclopentanol::CHEMBL297685

SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCC1)-c1cccc(F)c1

InChI Key InChIKey=LPAMCBPWGRTOCP-UHFFFAOYSA-N

Data  3 KI  1 IC50

  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 4 hits for monomerid = 50095790   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50095790(1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataKi:  9.80nMAssay Description:Binding Affinity towards Adenosine A2A receptor expressed in HEK-293 cells versus [3H]-CGS-21,680More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50095790(1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataKi:  20nMAssay Description:Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]-CCPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50095790(1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataKi:  1.10E+3nMAssay Description:Binding affinity towards adenosine A3 receptor expressed in HEK-293 cells versus [125I]-AB-MECAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Eisai

Curated by ChEMBL
LigandPNGBDBM50095790(1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataIC50:  63nMAssay Description:Inhibitory activity on NECA-induced cyclic-AMP accumulation in CHO-K1 cells expressing human Adenosine A2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed