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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50001493'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)


Article DOI: 10.1007/bf00572436
BindingDB Entry DOI: 10.7270/Q2RB7334
More data for this
Ligand-Target Pair
Adenosine receptor A1


(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)


Article DOI: 10.1007/bf00572436
BindingDB Entry DOI: 10.7270/Q2RB7334
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)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
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)


BindingDB Entry DOI: 10.7270/Q2M9077B
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)


BindingDB Entry DOI: 10.7270/Q26Q1W9W
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)


Article DOI: 10.1021/jm051268+
BindingDB Entry DOI: 10.7270/Q21V5DMG
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)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
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)


BindingDB Entry DOI: 10.7270/Q2C53JVQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(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)


BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine receptor A1


(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)


BindingDB Entry DOI: 10.7270/Q23B5Z65
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)


BindingDB Entry DOI: 10.7270/Q2PZ57T1
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)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair