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Patent code US9326978

Compile Data Set for Download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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 A3


(Homo sapiens (Human))
BDBM224619
PNG
(US9326978, 32)
Show SMILES COc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
Show InChI InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26)
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US Patent
410n/an/an/an/an/an/a8.0n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM224617
PNG
(US9326978, 30)
Show SMILES C1CCC(C1)c1nc2c(Nc3ccccc3)nc3ccccc3c2[nH]1
Show InChI InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25)
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786n/an/an/an/an/an/a8.0n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM224618
PNG
(US9326978, 31)
Show SMILES Cc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
Show InChI InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,24)(H,25,26)
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1.19E+3n/an/an/an/an/an/a8.0n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM224621
PNG
(US9326978, 34)
Show SMILES Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
Show InChI InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26)
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1.61E+3n/an/an/an/an/an/a8.0n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM224617
PNG
(US9326978, 30)
Show SMILES C1CCC(C1)c1nc2c(Nc3ccccc3)nc3ccccc3c2[nH]1
Show InChI InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25)
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3.15E+3n/an/an/an/an/an/a7.4n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
For binding to the human A1AR, [3H]R-PIA (2 nM) was incubated with membranes (40 μg/tube) from CHO cells stably expressing the human A1AR at 25°...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM224617
PNG
(US9326978, 30)
Show SMILES C1CCC(C1)c1nc2c(Nc3ccccc3)nc3ccccc3c2[nH]1
Show InChI InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25)
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3.42E+3n/an/an/an/an/an/a7.4n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
For binding to the human A1AR, [3H]R-PIA (2 nM) was incubated with membranes (40 μg/tube) from CHO cells stably expressing the human A1AR at 25°...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM224618
PNG
(US9326978, 31)
Show SMILES Cc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
Show InChI InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,24)(H,25,26)
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3.85E+3n/an/an/an/an/an/a7.4n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
For binding to the human A1AR, [3H]R-PIA (2 nM) was incubated with membranes (40 μg/tube) from CHO cells stably expressing the human A1AR at 25°...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM224619
PNG
(US9326978, 32)
Show SMILES COc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
Show InChI InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26)
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4.17E+3n/an/an/an/an/an/a7.4n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
For binding to the human A1AR, [3H]R-PIA (2 nM) was incubated with membranes (40 μg/tube) from CHO cells stably expressing the human A1AR at 25°...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM224620
PNG
(US9326978, 33 | US9326978, 49)
Show SMILES Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1Cl
Show InChI InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27)
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US Patent
4.69E+3n/an/an/an/an/an/a8.0n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM224620
PNG
(US9326978, 33 | US9326978, 49)
Show SMILES Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1Cl
Show InChI InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27)
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US Patent
4.69E+3n/an/an/an/an/an/a8.0n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
Each tube in the competitive binding assay contained 100 μl membrane suspension (20 μg protein), 50 μl [125I]-AB-MECA (0.5 nM), and 50...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM224618
PNG
(US9326978, 31)
Show SMILES Cc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
Show InChI InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,24)(H,25,26)
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5.22E+3n/an/an/an/an/an/a7.4n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
For binding to the human A1AR, [3H]R-PIA (2 nM) was incubated with membranes (40 μg/tube) from CHO cells stably expressing the human A1AR at 25°...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM224621
PNG
(US9326978, 34)
Show SMILES Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
Show InChI InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26)
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>1.00E+4n/an/an/an/an/an/a7.4n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
For binding to the human A1AR, [3H]R-PIA (2 nM) was incubated with membranes (40 μg/tube) from CHO cells stably expressing the human A1AR at 25°...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM224620
PNG
(US9326978, 33 | US9326978, 49)
Show SMILES Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1Cl
Show InChI InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27)
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>1.00E+4n/an/an/an/an/an/a7.4n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
For binding to the human A1AR, [3H]R-PIA (2 nM) was incubated with membranes (40 μg/tube) from CHO cells stably expressing the human A1AR at 25°...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM224620
PNG
(US9326978, 33 | US9326978, 49)
Show SMILES Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1Cl
Show InChI InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27)
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>1.00E+4n/an/an/an/an/an/a7.4n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
For binding to the human A1AR, [3H]R-PIA (2 nM) was incubated with membranes (40 μg/tube) from CHO cells stably expressing the human A1AR at 25°...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM224621
PNG
(US9326978, 34)
Show SMILES Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
Show InChI InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26)
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>1.00E+4n/an/an/an/an/an/a7.4n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
For binding to the human A1AR, [3H]R-PIA (2 nM) was incubated with membranes (40 μg/tube) from CHO cells stably expressing the human A1AR at 25°...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM224619
PNG
(US9326978, 32)
Show SMILES COc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
Show InChI InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26)
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>1.00E+4n/an/an/an/an/an/a7.4n/a



The United States of America, Represented by the Secretary, Dept. of Health and Human Services; Universiteit Leiden

US Patent


Assay Description
For binding to the human A1AR, [3H]R-PIA (2 nM) was incubated with membranes (40 μg/tube) from CHO cells stably expressing the human A1AR at 25°...


US Patent US9326978 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V85
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%