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BDBM50001493 3-Propyl-3,7-dihydro-purine-2,6-dione::3-Propyl-3,7-dihydro-purine-2,6-dione(enprofylline)::3-Propylxanthine (enprofylline)::CHEMBL279898::ENPROFYLLINE

SMILES: CCCn1c2nc[nH]c2c(=O)[nH]c1=O

InChI Key: InChIKey=SIQPXVQCUCHWDI-UHFFFAOYSA-N

Data: 29 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50001493   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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PubMed
4.73E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs


J Med Chem 59: 1967-83 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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PubMed
4.73E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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PubMed
4.73E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes & Digestive & Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at human Adenosine A2B receptor expressed in HEK-293 cells, using [125I]-ABOPX as radioligand


J Med Chem 45: 2131-8 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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PubMed
6.30E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by PDSP Ki Database




Mol Pharmacol 56: 705-13 (1999)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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PubMed
6.40E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2B receptor


J Med Chem 52: 3994-4006 (2009)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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6.40E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by PDSP Ki Database




Mol Pharmacol 56: 705-13 (1999)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by PDSP Ki Database




Mol Pharmacol 56: 705-13 (1999)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by PDSP Ki Database




Mol Pharmacol 56: 705-13 (1999)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by PDSP Ki Database




Mol Pharmacol 56: 705-13 (1999)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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PubMed
3.20E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 52: 3994-4006 (2009)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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3.20E+4n/an/an/an/an/an/an/an/a



Pharmazeutische Chemie

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligand


J Med Chem 36: 3341-9 (1993)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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3.20E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to rat adenosine A2A receptor


J Med Chem 52: 3994-4006 (2009)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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4.20E+4n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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4.40E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


J Med Chem 52: 3994-4006 (2009)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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5.50E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor from rat brain using [3H]-PIA as radioligand


J Med Chem 33: 2818-21 (1990)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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6.07E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]-CPX as a radioligand


J Med Chem 36: 1380-6 (1993)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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6.07E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.


J Med Chem 35: 4039-44 (1992)

More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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6.50E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to rat adenosine A3 receptor


J Med Chem 52: 3994-4006 (2009)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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8.10E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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8.13E+4n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


J Med Chem 49: 3682-92 (2006)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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9.06E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX


J Med Chem 35: 4039-44 (1992)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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9.26E+4n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 3682-92 (2006)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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1.56E+5n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to rat adenosine A1 receptor


J Med Chem 52: 3994-4006 (2009)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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1.58E+5n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor


J Med Chem 52: 3994-4006 (2009)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50001493
PNG
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)
Show SMILES CCCn1c2nc[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
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n/an/an/an/a 7.20E+3n/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.


J Med Chem 35: 4039-44 (1992)

More data for this
Ligand-Target Pair