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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'wutz' and Initial = 'w'   
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)
BDBM50062858
PNG
(8-Cyclopentyl-3-(2-fluoro-propyl)-1-propyl-3,7-dih...)
Show SMILES CCCn1c(=O)n(CC(C)F)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1/C16H23FN4O2/c1-3-8-20-15(22)12-14(21(16(20)23)9-10(2)17)19-13(18-12)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19)
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0.0940n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.155n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.155n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50062852
PNG
(8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dih...)
Show SMILES CCCn1c(=O)n(CCCF)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)
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0.180n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
In vitro binding affinity for Adenosine A1 receptor of bovine cortex


J Med Chem 45: 5150-6 (2002)


Article DOI: 10.1021/jm020905i
BindingDB Entry DOI: 10.7270/Q21J993X
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50062852
PNG
(8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dih...)
Show SMILES CCCn1c(=O)n(CCCF)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)
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0.183n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50062853
PNG
(8-Cyclopentyl-1-(3-fluoro-propyl)-3,7-dihydro-puri...)
Show SMILES FCCCn1c(=O)[nH]c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C13H17FN4O2/c14-6-3-7-18-12(19)9-11(17-13(18)20)16-10(15-9)8-4-1-2-5-8/h8H,1-7H2,(H,15,16)(H,17,20)
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0.216n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50062856
PNG
(8-Cyclopentyl-3-((E)-3-iodo-propenyl)-1-propyl-3,7...)
Show SMILES CCCn1c(=O)n(\C=C\CI)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C16H21IN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h5,10-11H,2-4,6-9H2,1H3,(H,18,19)/b10-5+
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0.237n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50062859
PNG
(8-Cyclopentyl-1-ethoxymethyl-3-propyl-3,7-dihydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(COCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O3/c1-3-9-19-14-12(15(21)20(16(19)22)10-23-4-2)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.286n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50011842
PNG
(8-Cyclopentyl-3-methyl-1-propyl-3,7-dihydro-purine...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-13(19)10-12(17(2)14(18)20)16-11(15-10)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
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0.310n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50062855
PNG
(8-Cyclopentyl-3-ethoxymethyl-1-propyl-3,7-dihydro-...)
Show SMILES CCCn1c(=O)n(COCC)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O3/c1-3-9-19-15(21)12-14(20(16(19)22)10-23-4-2)18-13(17-12)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.493n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50011824
PNG
(8-Cyclopentyl-1-methyl-3-propyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-12-10(13(19)17(2)14(18)20)15-11(16-12)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
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0.526n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50062857
PNG
(8-Cyclopentyl-1-(2-fluoro-propyl)-3-propyl-3,7-dih...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CC(C)F)c1=O)C1CCCC1
Show InChI InChI=1/C16H23FN4O2/c1-3-8-20-14-12(15(22)21(16(20)23)9-10(2)17)18-13(19-14)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,19)
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1.23n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50062854
PNG
(8-Cyclopentyl-7-methyl-1-propyl-3,7-dihydro-purine...)
Show SMILES CCCn1c(=O)[nH]c2nc(C3CCCC3)n(C)c2c1=O
Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-13(19)10-11(16-14(18)20)15-12(17(10)2)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,16,20)
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149n/an/an/an/an/an/an/an/a



Forschungszentrum Jülich GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes


J Med Chem 41: 555-63 (1998)


Article DOI: 10.1021/jm9705465
BindingDB Entry DOI: 10.7270/Q2RX9B60
More data for this
Ligand-Target Pair