BDBM50095793 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol::CHEMBL48153

SMILES Cn1c(nc2c(N)nc(nc12)C#CC1(O)CCCCC1)-c1cccc(F)c1

InChI Key InChIKey=PSJFQTPTZIHBKW-UHFFFAOYSA-N

Data  3 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 4 hits for monomerid = 50095793   

TargetAdenosine receptor A2b(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50095793(1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataIC50: 23nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50095793(1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataKi:  14nMAssay Description:Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]CCPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50095793(1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataKi:  16nMAssay Description:Binding Affinity towards Adenosine A2A receptor expressed in HEK293 cells versus [3H]CGS-21680More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50095793(1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataKi:  540nMAssay Description:Binding affinity towards adenosine A3 receptor expressed in HEK293 cells versus [125I]AB-MECAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed