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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with Target = 'Adenosine A1 receptor' and Ligand = 'BDBM10847'   
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 A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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3.80E+3n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes


J Med Chem 49: 3916-25 (2006)


Article DOI: 10.1021/jm060373w
BindingDB Entry DOI: 10.7270/Q25H7FW1
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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3.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in bovine brain membranes by [3H]CHA displacement.


J Med Chem 47: 3580-90 (2004)


Article DOI: 10.1021/jm031136l
BindingDB Entry DOI: 10.7270/Q2CV4JHH
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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3.80E+3n/an/an/an/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor


J Med Chem 52: 2407-19 (2009)


Article DOI: 10.1021/jm8014876
BindingDB Entry DOI: 10.7270/Q2X63MVV
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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3.80E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]DPCPX from adenosine A1 receptor in bovine brain membrane


Bioorg Med Chem 16: 6086-102 (2008)


Article DOI: 10.1016/j.bmc.2008.04.039
BindingDB Entry DOI: 10.7270/Q2TQ61BG
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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3.80E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM


J Med Chem 43: 1158-64 (2000)


Article DOI: 10.1021/jm991096e
BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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3.80E+3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)


BindingDB Entry DOI: 10.7270/Q26H4FXN
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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3.80E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7932-45 (2005)


Article DOI: 10.1021/jm0504149
BindingDB Entry DOI: 10.7270/Q20V8CCR
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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3.80E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from adenosine A1 receptor in bovine brain membranes


J Med Chem 43: 3118-24 (2000)


Article DOI: 10.1021/jm000936i
BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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5.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




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


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


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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5.98E+3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)


BindingDB Entry DOI: 10.7270/Q22V2DMN
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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6.00E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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6.33E+3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)


BindingDB Entry DOI: 10.7270/Q22V2DMN
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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7.06E+3n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991)


BindingDB Entry DOI: 10.7270/Q22V2DMN
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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8.50E+3n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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9.80E+3n/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)


Article DOI: 10.1021/jm00100a008
BindingDB Entry DOI: 10.7270/Q2CF9P23
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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9.80E+3n/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)


Article DOI: 10.1021/jm00062a010
BindingDB Entry DOI: 10.7270/Q23B5Z65
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987)


BindingDB Entry DOI: 10.7270/Q26H4FXN
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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1.30E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig membranes


J Med Chem 35: 924-30 (1992)


Article DOI: 10.1021/jm00083a018
BindingDB Entry DOI: 10.7270/Q2NS0VJZ
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist binding of N6-cyclohexyl-[3H]-adenosine to bovine brain


J Med Chem 25: 197-207 (1982)


Article DOI: 10.1021/jm00345a001
BindingDB Entry DOI: 10.7270/Q2CZ37RK
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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2.30E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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2.30E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-cyclohexyladenosine binding to guinea pig forebrain membranes Adenosine A1 receptor


J Med Chem 34: 466-9 (1991)


Article DOI: 10.1021/jm00105a072
BindingDB Entry DOI: 10.7270/Q2154G0Z
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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2.30E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.


J Med Chem 36: 2508-18 (1993)


Article DOI: 10.1021/jm00069a009
BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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2.30E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)


Article DOI: 10.1021/jm00094a022
BindingDB Entry DOI: 10.7270/Q2DN45PF
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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2.30E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N6-[3H]cyclohexyladenosine binding to guinea pig forebrain membrane Adenosine A1 receptor


J Med Chem 35: 924-30 (1992)


Article DOI: 10.1021/jm00083a018
BindingDB Entry DOI: 10.7270/Q2NS0VJZ
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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n/an/a 2.43E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
Article DOI: 10.1021/jm00146a016
BindingDB Entry DOI: 10.7270/Q2445N2W
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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n/an/a 1.27E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
Article DOI: 10.1021/jm00146a016
BindingDB Entry DOI: 10.7270/Q2445N2W
More data for this
Ligand-Target Pair