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25 similar compounds to monomer 10850

Wt: 236.2
BDBM82046
Wt: 316.3
BDBM82535
Wt: 400.3
BDBM81508
Purchase
Wt: 386.3
BDBM81509
Wt: 222.2
BDBM50001494
Wt: 222.2
BDBM50001497
Wt: 250.2
BDBM50001500
Purchase
Wt: 264.3
BDBM50001501
Wt: 236.2
BDBM50001503
Wt: 222.2
BDBM50001511
Wt: 264.3
BDBM50001512
Wt: 250.2
BDBM50001516
Wt: 222.2
BDBM50025566
Wt: 264.3
BDBM50037424
Purchase
Wt: 320.4
BDBM50037433
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 82046,82535,81508,81509,50001494,50001497,50001500,50001501,50001503,50001511,50001512,50001516,50025566,50037424,50037433   
Target
(Institution)
LigandTarget
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
ADORA3


(RAT)
BDBM82535
PNG
(1,3-DihexylX | 1,3-Dihexylxanthine)
Show SMILES O=c1n(C2CCCCC2)c2nc[nH]c2c(=O)n1C1CCCCC1
Show InChI InChI=1S/C17H24N4O2/c22-16-14-15(19-11-18-14)20(12-7-3-1-4-8-12)17(23)21(16)13-9-5-2-6-10-13/h11-13H,1-10H2,(H,18,19)
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9.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)

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


(Rattus norvegicus (rat))
BDBM82535
PNG
(1,3-DihexylX | 1,3-Dihexylxanthine)
Show SMILES O=c1n(C2CCCCC2)c2nc[nH]c2c(=O)n1C1CCCCC1
Show InChI InChI=1S/C17H24N4O2/c22-16-14-15(19-11-18-14)20(12-7-3-1-4-8-12)17(23)21(16)13-9-5-2-6-10-13/h11-13H,1-10H2,(H,18,19)
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14.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001516
PNG
(1-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)n(CCC)c2nc[nH]c2c1=O
Show InChI InChI=1S/C12H18N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14)
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20n/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
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM81509
PNG
(Bisdionin F)
Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4nc[nH]c4c3=O)c(=O)c12
Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)
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Article
PubMed
420 -9.04 920n/an/an/an/a5.237



University of Edinburgh



Assay Description
Chitnase inhibition by bisdionin compounds.


Chem Biol 18: 569-79 (2011)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50037424
PNG
(1,3-Dibutyl-3,7-dihydro-purine-2,6-dione | CHEMBL1...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)n(CCCC)c1=O
Show InChI InChI=1S/C13H20N4O2/c1-3-5-7-16-11-10(14-9-15-11)12(18)17(13(16)19)8-6-4-2/h9H,3-8H2,1-2H3,(H,14,15)
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500n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membrane


J Med Chem 37: 3373-82 (1994)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50001500
PNG
(7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50037433
PNG
(1,3-Dihexyl-3,7-dihydro-purine-2,6-dione | CHEMBL6...)
Show SMILES CCCCCCn1c2nc[nH]c2c(=O)n(CCCCCC)c1=O
Show InChI InChI=1S/C17H28N4O2/c1-3-5-7-9-11-20-15-14(18-13-19-15)16(22)21(17(20)23)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,18,19)
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1.26E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membrane


J Med Chem 37: 3373-82 (1994)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82535
PNG
(1,3-DihexylX | 1,3-Dihexylxanthine)
Show SMILES O=c1n(C2CCCCC2)c2nc[nH]c2c(=O)n1C1CCCCC1
Show InChI InChI=1S/C17H24N4O2/c22-16-14-15(19-11-18-14)20(12-7-3-1-4-8-12)17(23)21(16)13-9-5-2-6-10-13/h11-13H,1-10H2,(H,18,19)
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1.26E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001511
PNG
(3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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1.90E+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)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50001500
PNG
(7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
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3.40E+3n/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 A2a receptor


(GUINEA PIG)
BDBM50001516
PNG
(1-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)n(CCC)c2nc[nH]c2c1=O
Show InChI InChI=1S/C12H18N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14)
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4.10E+3n/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 A1 receptor


(GUINEA PIG)
BDBM50001494
PNG
(1-Butyl-3-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)n(C)c2nc[nH]c2c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-4-5-14-9(15)7-8(12-6-11-7)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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4.30E+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)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50001511
PNG
(3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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4.80E+3n/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 A2a receptor


(GUINEA PIG)
BDBM50025566
PNG
(3,7-Dimethyl-1-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c(=O)n(C)c2ncn(C)c2c1=O
Show InChI InChI=1S/C10H14N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h6H,4-5H2,1-3H3
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001512
PNG
(1-Butyl-7-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCCn1c(=O)n(CCC)c2ncn(C)c2c1=O
Show InChI InChI=1S/C13H20N4O2/c1-4-6-8-17-12(18)10-11(14-9-15(10)3)16(7-5-2)13(17)19/h9H,4-8H2,1-3H3
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6.00E+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)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50001500
PNG
(7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
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7.00E+3n/an/an/an/an/an/an/an/a



Eberhard-Karls-Universität Tübingen

Curated by ChEMBL


Assay Description
Binding affinity to A1 adenosine receptor from rat cortical membrane in presence of [3H]-R-(phenylisopropyl)-adenosine


J Med Chem 37: 1526-34 (1994)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50001500
PNG
(7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
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7.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit binding of 1 nM [3H]-cyclohexyladenosine to adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001501
PNG
(7-Butyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C13H20N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h9H,4-8H2,1-3H3
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7.30E+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)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50037433
PNG
(1,3-Dihexyl-3,7-dihydro-purine-2,6-dione | CHEMBL6...)
Show SMILES CCCCCCn1c2nc[nH]c2c(=O)n(CCCCCC)c1=O
Show InChI InChI=1S/C17H28N4O2/c1-3-5-7-9-11-20-15-14(18-13-19-15)16(22)21(17(20)23)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,18,19)
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7.58E+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 A1 receptor


(GUINEA PIG)
BDBM50001500
PNG
(7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
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7.70E+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)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(GUINEA PIG)
BDBM50001497
PNG
(1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
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9.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.


J Med Chem 29: 1305-8 (1987)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82046
PNG
(1-Butyltheobromine | CAS_70835 | NSC_70835)
Show SMILES CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
Show InChI InChI=1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3
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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 receptors; A1 & A2a


(Homo sapiens (human))
BDBM82046
PNG
(1-Butyltheobromine | CAS_70835 | NSC_70835)
Show SMILES CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
Show InChI InChI=1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3
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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 A1 receptor


(GUINEA PIG)
BDBM50001503
PNG
(1-Ethyl-7-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-4-6-15-9-8(13(3)7-12-9)10(16)14(5-2)11(15)17/h7H,4-6H2,1-3H3
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1.18E+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 A1


(Rattus norvegicus (rat))
BDBM50001500
PNG
(7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
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1.20E+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 fat cell membrane


J Med Chem 32: 1231-7 (1989)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50001497
PNG
(1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
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1.45E+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 A2a receptor


(GUINEA PIG)
BDBM50001501
PNG
(7-Butyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C13H20N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h9H,4-8H2,1-3H3
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1.53E+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 A2a receptor


(GUINEA PIG)
BDBM50001497
PNG
(1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
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2.01E+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 A1


(Rattus norvegicus (rat))
BDBM50001497
PNG
(1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
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2.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit binding of 1 nM [3H]-cyclohexyladenosine to adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 29: 1305-8 (1987)

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


(Rattus norvegicus (rat))
BDBM50037424
PNG
(1,3-Dibutyl-3,7-dihydro-purine-2,6-dione | CHEMBL1...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)n(CCCC)c1=O
Show InChI InChI=1S/C13H20N4O2/c1-3-5-7-16-11-10(14-9-15-11)12(18)17(13(16)19)8-6-4-2/h9H,3-8H2,1-2H3,(H,14,15)
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2.93E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane


J Med Chem 37: 3373-82 (1994)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50025566
PNG
(3,7-Dimethyl-1-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c(=O)n(C)c2ncn(C)c2c1=O
Show InChI InChI=1S/C10H14N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h6H,4-5H2,1-3H3
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3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit binding of 1 nM [3H]-cyclohexyladenosine to adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 29: 1305-8 (1987)

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


(Rattus norvegicus)
BDBM50037424
PNG
(1,3-Dibutyl-3,7-dihydro-purine-2,6-dione | CHEMBL1...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)n(CCCC)c1=O
Show InChI InChI=1S/C13H20N4O2/c1-3-5-7-16-11-10(14-9-15-11)12(18)17(13(16)19)8-6-4-2/h9H,3-8H2,1-2H3,(H,14,15)
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1.43E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from membranes of CHO cells stably transfected with the rat adenosine A3 receptor cDNA


J Med Chem 37: 3373-82 (1994)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase


(Mus musculus)
BDBM81508
PNG
(Bisdionin C)
Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12
Show InChI InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
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n/an/a 3.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AMCase in BALB/c mouse lung homogenate using 4-methyumbelliferyl-beta-B-N,N'-diacetylchitobiose after 10 mins


Citation and Details
More data for this
Ligand-Target Pair
Chitinase


(Aspergillus fumigatus)
BDBM81508
PNG
(Bisdionin C)
Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12
Show InChI InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Aspergillus fumigatus ChitinaseB1 expressed in Escherichia coli using 4-methyumbelliferyl-beta-B-N,N'-diacetylchitobiose after 10 mins


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50001512
PNG
(1-Butyl-7-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCCn1c(=O)n(CCC)c2ncn(C)c2c1=O
Show InChI InChI=1S/C13H20N4O2/c1-4-6-8-17-12(18)10-11(14-9-15(10)3)16(7-5-2)13(17)19/h9H,4-8H2,1-3H3
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n/an/an/an/a 1.40E+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
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50001503
PNG
(1-Ethyl-7-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C11H16N4O2/c1-4-6-15-9-8(13(3)7-12-9)10(16)14(5-2)11(15)17/h7H,4-6H2,1-3H3
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n/an/an/an/a 7.60E+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
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50001501
PNG
(7-Butyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C13H20N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h9H,4-8H2,1-3H3
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n/an/an/an/a 3.10E+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
Chitinase (chiA1)


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM81508
PNG
(Bisdionin C)
Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12
Show InChI InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
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n/an/a>1.00E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Aspergillus fumigatus chitinaseA1 using 4-methyumbelliferyl-beta-B-N,N'-triacetylchitotriose as substrate after 10 mins


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50001494
PNG
(1-Butyl-3-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)n(C)c2nc[nH]c2c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-4-5-14-9(15)7-8(12-6-11-7)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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n/an/an/an/a 7.60E+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
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50001516
PNG
(1-Butyl-3-propyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c(=O)n(CCC)c2nc[nH]c2c1=O
Show InChI InChI=1S/C12H18N4O2/c1-3-5-7-16-11(17)9-10(14-8-13-9)15(6-4-2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14)
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n/an/an/an/a 30n/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
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50001497
PNG
(1,7-Dimethyl-3-propyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-4-5-14-8-7(12(2)6-11-8)9(15)13(3)10(14)16/h6H,4-5H2,1-3H3
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n/an/an/an/a 1.06E+4n/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
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50001511
PNG
(3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione | CH...)
Show SMILES CCCCn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
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n/an/an/an/a 1.30E+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
Chitinase


(Homo sapiens (human))
BDBM81509
PNG
(Bisdionin F)
Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4nc[nH]c4c3=O)c(=O)c12
Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)
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n/an/a 1.70E+4n/an/an/an/a5.237



University of Edinburgh



Assay Description
Chitnase inhibition by bisdionin compounds.


Chem Biol 18: 569-79 (2011)

More data for this
Ligand-Target Pair
Chitinase


(Homo sapiens (human))
BDBM81508
PNG
(Bisdionin C)
Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12
Show InChI InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
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n/an/a 8.30E+3n/an/an/an/a5.237



University of Edinburgh



Assay Description
Chitnase inhibition by bisdionin compounds.


Chem Biol 18: 569-79 (2011)

More data for this
Ligand-Target Pair
Acidic mammalian chitinase (AMCase)


(Homo sapiens (Human))
BDBM81508
PNG
(Bisdionin C)
Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12
Show InChI InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
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n/an/a 2.00E+4n/an/an/an/a5.237



University of Edinburgh



Assay Description
Chitnase inhibition by bisdionin compounds.


Chem Biol 18: 569-79 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50001500
PNG
(7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
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n/an/an/an/a 600n/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