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Found 19 hits Enz. Inhib. hit(s) with Target = 'Adenosine A2a receptor' AND taxid = 9986   
Target
(Institution)
LigandTarget
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 A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99205
PNG
(US8501708, 29)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1
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422n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99192
PNG
(US8501708, 12)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccccc3)ncnc12
Show InChI InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14?,15-,16-,18-,19-,22?/m1/s1
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476n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99210
PNG
(US8501708, 34)
Show SMILES Cc1cccc(C)c1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H31N5O5/c1-13-5-3-6-14(2)15(13)10-33-17-8-4-7-16(17)28-22-19-23(26-11-25-22)29(12-27-19)24-21(32)20(31)18(9-30)34-24/h3,5-6,11-12,16-18,20-21,24,30-32H,4,7-10H2,1-2H3,(H,25,26,28)/t16?,17-,18-,20-,21-,24-/m1/s1
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2.27E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99193
PNG
(US8501708, 13)
Show SMILES Cc1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C23H29N5O5/c1-13-5-7-14(8-6-13)10-32-16-4-2-3-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h5-8,11-12,15-17,19-20,23,29-31H,2-4,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
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2.53E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99206
PNG
(US8501708, 30)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1
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2.55E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99209
PNG
(US8501708, 33)
Show SMILES COc1cccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1
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2.77E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99202
PNG
(US8501708, 22)
Show SMILES COc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
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2.98E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99204
PNG
(US8501708, 28)
Show SMILES Cc1ccccc1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H29N5O5/c1-13-5-2-3-6-14(13)10-32-16-8-4-7-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2-3,5-6,11-12,15-17,19-20,23,29-31H,4,7-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1
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3.37E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99194
PNG
(US8501708, 14 | US8501708, 15)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3OCc3ccccc3)ncnc12
Show InChI InChI=1S/C23H29N5O5/c29-10-17-19(30)20(31)23(33-17)28-13-26-18-21(24-12-25-22(18)28)27-15-8-4-5-9-16(15)32-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23,29-31H,4-5,8-11H2,(H,24,25,27)/t15?,16?,17-,19-,20-,23?/m1/s1
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3.74E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99207
PNG
(US8501708, 31)
Show SMILES CC(C)c1ccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19-,21-,22-,25-/m1/s1
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3.78E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99197
PNG
(US8501708, 17)
Show SMILES Cc1ccccc1CO[C@H]1CCCC1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H29N5O5/c1-13-5-2-3-6-14(13)10-32-16-8-4-7-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2-3,5-6,11-12,15-17,19-20,23,29-31H,4,7-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
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5.32E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99199
PNG
(US8501708, 19)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1
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5.54E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99201
PNG
(US8501708, 21)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C22H26IN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1
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6.83E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99198
PNG
(US8501708, 18)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1
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7.33E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99203
PNG
(US8501708, 23)
Show SMILES Cc1cccc(CO[C@H]2CCCC2Nc2nc(Cl)nc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H28ClN5O5/c1-12-4-2-5-13(8-12)10-33-15-7-3-6-14(15)26-20-17-21(28-23(24)27-20)29(11-25-17)22-19(32)18(31)16(9-30)34-22/h2,4-5,8,11,14-16,18-19,22,30-32H,3,6-7,9-10H2,1H3,(H,26,27,28)/t14?,15-,16+,18+,19+,22?/m0/s1
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9.37E+3n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99200
PNG
(US8501708, 20)
Show SMILES CC(C)c1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19+,21+,22+,25?/m0/s1
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1.14E+4n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99208
PNG
(US8501708, 32)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C22H26IN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1
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1.56E+4n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99194
PNG
(US8501708, 14 | US8501708, 15)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3OCc3ccccc3)ncnc12
Show InChI InChI=1S/C23H29N5O5/c29-10-17-19(30)20(31)23(33-17)28-13-26-18-21(24-12-25-22(18)28)27-15-8-4-5-9-16(15)32-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23,29-31H,4-5,8-11H2,(H,24,25,27)/t15?,16?,17-,19-,20-,23?/m1/s1
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2.54E+4n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Oryctolagus cuniculus (rabbit))
BDBM99196
PNG
(US8501708, 16)
Show SMILES Cc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C23H29N5O5/c1-13-4-2-5-14(8-13)10-32-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Inotek Pharmaceuticals Corporation

US Patent


Assay Description
The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.


US Patent US8501708 (2013)

More data for this
Ligand-Target Pair