BDBM50309496 CHEMBL591999::N-((1S,2R,3S,4R)-4-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl)-2,3-dihydroxycyclopentyl)propionamide

SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3C[C@H](NC(=O)CC)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=MOWBUOOHZBNNQZ-UHFFFAOYSA-N

Data  1 KI  1 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50309496   

TargetAdenosine receptor A2a(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50309496(N-((1S,2R,3S,4R)-4-(6-amino-2-(hex-1-ynyl)-9H-puri...)
Affinity DataIC50: 12nMAssay Description:Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50309496(N-((1S,2R,3S,4R)-4-(6-amino-2-(hex-1-ynyl)-9H-puri...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human adenosine A1 receptor expressed in CHO cells by GTPPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50309496(N-((1S,2R,3S,4R)-4-(6-amino-2-(hex-1-ynyl)-9H-puri...)
Affinity DataEC50:  105nMAssay Description:Agonist activity at human adenosine A3 receptor expressed in CHO cells by GTPPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50309496(N-((1S,2R,3S,4R)-4-(6-amino-2-(hex-1-ynyl)-9H-puri...)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as effect on cAMP production by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50309496(N-((1S,2R,3S,4R)-4-(6-amino-2-(hex-1-ynyl)-9H-puri...)
Affinity DataKi:  18nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed