BDBM50207816 CHEMBL273094::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide (xanthine amine congenere, XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(XAC)::N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide::N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide::XAC

SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1

InChI Key InChIKey=FIQGIOAELHTLHM-UHFFFAOYSA-N

Data  79 KI  1 Kd

PDB links: 1 PDB ID matches this monomer.

  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 80 hits for monomerid = 50207816   

TargetAdenosine receptor A1(Bovine)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  0.0300nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Bovine)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  0.0800nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Sheep)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  0.0900nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Bovine)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Bovine)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  0.300nMAssay Description:Affinity for Adenosine A1 receptor using [N6-[(3-[125I]-iodo-4-aminophenyl)ethyl]adenosine in calf brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetP2Y purinoceptor 2(Chinese hamster)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  0.310nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rabbit)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  0.450nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  0.490nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Universidade De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1nMAssay Description:Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A2a(Human)
Universidade De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.10nMAssay Description:Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.20nMAssay Description:Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity for adenosine A1 receptor using [3H]- CHA or [3H]- PIAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity towards adenosine A1 receptor in rat cortical membranes using N6-[3H]cyclohexyladenosine as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.20nMAssay Description:Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.20nMAssay Description:Inhibition of (R)-N6-([3H]-phenylisopropyl) adenosine binding to adenosine A1 receptor from rat cortical membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.20nMAssay Description:Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]-R-PIA radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Bovine)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.30nMAssay Description:Binding affinity at bovine Adenosine A1 receptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Bovine)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.30nMAssay Description:Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.30nMAssay Description:Binding affinity towards rat Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Guinea pig)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  1.48nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
In DepthDetails PubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  3.5nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  4.40nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Rabbit)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
In DepthDetails PubMed

TargetAdenosine receptor A1(Guinea pig)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  5.49nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Universidade De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  5.80nMAssay Description:Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A1(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  6.82nMAssay Description:Antagonist activity against recombinant human adenosine A1 receptor expressed in HEK-293 cells in presence of [125I]-IABA radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2b(Human)
University of Virginia

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  7.30nMMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetAdenosine receptor A2b(Human)
University of Virginia

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  7.75nMAssay Description:Antagonist activity against human A2B adenosine receptor expressed in HEK-293 cells uisng [3H]-ZM-241,385 or [125I]-IABOPXMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Universidade De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  7.90nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A1(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  8.30nMAssay 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(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Guinea pig)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  11nMAssay Description:Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A1(Guinea pig)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  11nMAssay Description:Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Universidade De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  16nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A2a(Human)
Universidade De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  18.4nMAssay Description:Antagonist activity against recombinant human adenosine A2A receptor expressed in HEK-293 cells in presence of [125I]-iodo-ZM241385 radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A2a/A2b(Rat)
Kyowa Hakko Kogyo

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  21nMAssay Description:Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A2a/A2b(Rat)
Kyowa Hakko Kogyo

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  21nMAssay Description:Binding affinity against adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 5...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A2a(Human)
Universidade De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  24nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A1(Rat)
UniversitÄT Heidelberg

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  24nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A2a(Human)
Universidade De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  25.1nMAssay Description:Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  25.6nMAssay Description:Antagonist activity against human adenosine A3 receptor expressed in HEK cells in presence of [125]IAB-MECA or [125I]-IABA radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  28nMMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetAdenosine receptor A1(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Affinity DataKi:  29nMAssay Description:Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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