BDBM50095778 4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-yl]-2-methyl-but-3-yn-2-ol::CHEMBL300624

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

InChI Key InChIKey=UWDBBNIVTAVDGD-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 = 50095778   

TargetAdenosine receptor A2a(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50095778(4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataKi:  9.10nMAssay 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 A1(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50095778(4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataKi:  30nMAssay 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 A2b(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50095778(4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataIC50: 150nMAssay 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 A3(Human)
Eisai

Curated by ChEMBL
LigandPNGBDBM50095778(4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2...)
Affinity DataKi:  2.10E+3nMAssay 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