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Compile Data Set for Download or QSAR

Found 46 hits from Evotec AG   
Target/Host
(Institution)
LigandTarget/Host
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
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118155
PNG
(US8653091, 50)
Show SMILES C[C@@H](Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6/c1-13-3-6-19(26-9-13)30-8-7-17-16(11-30)20(28-12-27-17)29-14(2)15-4-5-18(25-10-15)21(22,23)24/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,27,28,29)/t14-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118169
PNG
(US8653091, 64)
Show SMILES C[C@@H](Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1cnc(C)nc1
Show InChI InChI=1S/C20H23N7/c1-13-4-5-19(23-8-13)27-7-6-18-17(11-27)20(25-12-24-18)26-14(2)16-9-21-15(3)22-10-16/h4-5,8-10,12,14H,6-7,11H2,1-3H3,(H,24,25,26)/t14-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118154
PNG
(US8653091, 49)
Show SMILES C[C@@H](Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C21H22FN5/c1-14-3-8-20(23-11-14)27-10-9-19-18(12-27)21(25-13-24-19)26-15(2)16-4-6-17(22)7-5-16/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26)/t15-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118152
PNG
(US8653091, 47)
Show SMILES COc1cccc(c1)[C@@H](C)Nc1ncnc2CCN(Cc12)c1ccc(C)cn1
Show InChI InChI=1S/C22H25N5O/c1-15-7-8-21(23-12-15)27-10-9-20-19(13-27)22(25-14-24-20)26-16(2)17-5-4-6-18(11-17)28-3/h4-8,11-12,14,16H,9-10,13H2,1-3H3,(H,24,25,26)/t16-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118168
PNG
(US8653091, 63)
Show SMILES Cc1ccc(nc1)N1CCc2ncnc(N[C@H](CCO)c3ccc(nc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C22H23F3N6O/c1-14-2-5-20(27-10-14)31-8-6-18-16(12-31)21(29-13-28-18)30-17(7-9-32)15-3-4-19(26-11-15)22(23,24)25/h2-5,10-11,13,17,32H,6-9,12H2,1H3,(H,28,29,30)/t17-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118165
PNG
(US8653091, 60)
Show SMILES COc1ccc(cn1)[C@@H](CO)Nc1ncnc2CCN(Cc12)c1ccc(C)cn1
Show InChI InChI=1S/C21H24N6O2/c1-14-3-5-19(22-9-14)27-8-7-17-16(11-27)21(25-13-24-17)26-18(12-28)15-4-6-20(29-2)23-10-15/h3-6,9-10,13,18,28H,7-8,11-12H2,1-2H3,(H,24,25,26)/t18-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118166
PNG
(US8653091, 61)
Show SMILES Cc1ccc(nc1)N1CCc2ncnc(N[C@H](CCO)c3ccc(C)nc3)c2C1
Show InChI InChI=1S/C22H26N6O/c1-15-3-6-21(24-11-15)28-9-7-20-18(13-28)22(26-14-25-20)27-19(8-10-29)17-5-4-16(2)23-12-17/h3-6,11-12,14,19,29H,7-10,13H2,1-2H3,(H,25,26,27)/t19-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118163
PNG
(US8653091, 58)
Show SMILES COc1ccc(cn1)[C@@H](CCO)Nc1ncnc2CCN(Cc12)c1ccc(C)cn1
Show InChI InChI=1S/C22H26N6O2/c1-15-3-5-20(23-11-15)28-9-7-19-17(13-28)22(26-14-25-19)27-18(8-10-29)16-4-6-21(30-2)24-12-16/h3-6,11-12,14,18,29H,7-10,13H2,1-2H3,(H,25,26,27)/t18-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118157
PNG
(US8653091, 52)
Show SMILES C[C@@H](Nc1ncnc2CCN(Cc12)c1ccc(Cl)cn1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H18ClF3N6/c1-12(13-2-4-17(25-8-13)20(22,23)24)29-19-15-10-30(7-6-16(15)27-11-28-19)18-5-3-14(21)9-26-18/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,27,28,29)/t12-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118144
PNG
(US8653091, 39)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C21H21ClFN5/c1-13-3-6-20(24-10-13)28-8-7-19-16(11-28)21(26-12-25-19)27-14(2)15-4-5-17(22)18(23)9-15/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,25,26,27)
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n/an/a 43n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118139
PNG
(US8653091, 34)
Show SMILES C[C@@H](Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccc(C)cc1
Show InChI InChI=1S/C22H25N5/c1-15-4-7-18(8-5-15)17(3)26-22-19-13-27(11-10-20(19)24-14-25-22)21-9-6-16(2)12-23-21/h4-9,12,14,17H,10-11,13H2,1-3H3,(H,24,25,26)/t17-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118112
PNG
(US8653091, 7)
Show SMILES C[C@@H](Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN5/c1-14-3-8-20(23-11-14)27-10-9-19-18(12-27)21(25-13-24-19)26-15(2)16-4-6-17(22)7-5-16/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26)/t15-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118123
PNG
(US8653091, 18)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccc(F)cc1F
Show InChI InChI=1S/C21H21F2N5/c1-13-3-6-20(24-10-13)28-8-7-19-17(11-28)21(26-12-25-19)27-14(2)16-5-4-15(22)9-18(16)23/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,25,26,27)
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n/an/a 50n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118122
PNG
(US8653091, 17)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H21F2N5/c1-13-3-4-20(24-10-13)28-6-5-19-18(11-28)21(26-12-25-19)27-14(2)15-7-16(22)9-17(23)8-15/h3-4,7-10,12,14H,5-6,11H2,1-2H3,(H,25,26,27)
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n/an/a 52n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118107
PNG
(US8653091, 2)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1cccc(F)c1
Show InChI InChI=1S/C21H22FN5/c1-14-6-7-20(23-11-14)27-9-8-19-18(12-27)21(25-13-24-19)26-15(2)16-4-3-5-17(22)10-16/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,24,25,26)
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n/an/a 56n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118116
PNG
(US8653091, 11)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1cccnc1
Show InChI InChI=1S/C20H22N6/c1-14-5-6-19(22-10-14)26-9-7-18-17(12-26)20(24-13-23-18)25-15(2)16-4-3-8-21-11-16/h3-6,8,10-11,13,15H,7,9,12H2,1-2H3,(H,23,24,25)
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n/an/a 63n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118161
PNG
(US8653091, 56)
Show SMILES Cc1ccc(nc1)N1CCc2ncnc(NC(CCO)c3ccc(nc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C22H23F3N6O/c1-14-2-5-20(27-10-14)31-8-6-18-16(12-31)21(29-13-28-18)30-17(7-9-32)15-3-4-19(26-11-15)22(23,24)25/h2-5,10-11,13,17,32H,6-9,12H2,1H3,(H,28,29,30)
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n/an/a 67n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118113
PNG
(US8653091, 8)
Show SMILES C[C@@H](Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccccc1
Show InChI InChI=1S/C21H23N5/c1-15-8-9-20(22-12-15)26-11-10-19-18(13-26)21(24-14-23-19)25-16(2)17-6-4-3-5-7-17/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,23,24,25)/t16-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118126
PNG
(US8653091, 21)
Show SMILES COc1ccc(cc1F)C(C)Nc1ncnc2CCN(Cc12)c1ccc(C)cn1
Show InChI InChI=1S/C22H24FN5O/c1-14-4-7-21(24-11-14)28-9-8-19-17(12-28)22(26-13-25-19)27-15(2)16-5-6-20(29-3)18(23)10-16/h4-7,10-11,13,15H,8-9,12H2,1-3H3,(H,25,26,27)
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n/an/a 80n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118117
PNG
(US8653091, 12)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccccc1F
Show InChI InChI=1S/C21H22FN5/c1-14-7-8-20(23-11-14)27-10-9-19-17(12-27)21(25-13-24-19)26-15(2)16-5-3-4-6-18(16)22/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26)
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n/an/a 88n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118164
PNG
(US8653091, 59)
Show SMILES COc1ccc(cn1)[C@@H](CO)Nc1ncnc2CCN(Cc12)c1ccc(Cl)cn1
Show InChI InChI=1S/C20H21ClN6O2/c1-29-19-5-2-13(8-23-19)17(11-28)26-20-15-10-27(7-6-16(15)24-12-25-20)18-4-3-14(21)9-22-18/h2-5,8-9,12,17,28H,6-7,10-11H2,1H3,(H,24,25,26)/t17-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118162
PNG
(US8653091, 57)
Show SMILES COc1ccc(cn1)[C@@H](CCO)Nc1ncnc2CCN(Cc12)c1ccc(Cl)cn1
Show InChI InChI=1S/C21H23ClN6O2/c1-30-20-5-2-14(10-24-20)17(7-9-29)27-21-16-12-28(8-6-18(16)25-13-26-21)19-4-3-15(22)11-23-19/h2-5,10-11,13,17,29H,6-9,12H2,1H3,(H,25,26,27)/t17-/m1/s1
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n/an/a 103n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118121
PNG
(US8653091, 16)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H22ClN5/c1-14-6-7-20(23-11-14)27-9-8-19-18(12-27)21(25-13-24-19)26-15(2)16-4-3-5-17(22)10-16/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,24,25,26)
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n/an/a 119n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118115
PNG
(US8653091, 10)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccccn1
Show InChI InChI=1S/C20H22N6/c1-14-6-7-19(22-11-14)26-10-8-18-16(12-26)20(24-13-23-18)25-15(2)17-5-3-4-9-21-17/h3-7,9,11,13,15H,8,10,12H2,1-2H3,(H,23,24,25)
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n/an/a 123n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118120
PNG
(US8653091, 15)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccccc1Cl
Show InChI InChI=1S/C21H22ClN5/c1-14-7-8-20(23-11-14)27-10-9-19-17(12-27)21(25-13-24-19)26-15(2)16-5-3-4-6-18(16)22/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26)
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n/an/a 125n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118110
PNG
(US8653091, 5)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H25N5O2S/c1-15-4-9-21(23-12-15)27-11-10-20-19(13-27)22(25-14-24-20)26-16(2)17-5-7-18(8-6-17)30(3,28)29/h4-9,12,14,16H,10-11,13H2,1-3H3,(H,24,25,26)
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n/an/a 128n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118119
PNG
(US8653091, 14)
Show SMILES COc1ccccc1C(C)Nc1ncnc2CCN(Cc12)c1ccc(C)cn1
Show InChI InChI=1S/C22H25N5O/c1-15-8-9-21(23-12-15)27-11-10-19-18(13-27)22(25-14-24-19)26-16(2)17-6-4-5-7-20(17)28-3/h4-9,12,14,16H,10-11,13H2,1-3H3,(H,24,25,26)
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n/an/a 137n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118137
PNG
(US8653091, 32)
Show SMILES Cc1ccc(nc1)N1CCc2ncnc(NC(CCO)c3ccccc3)c2C1
Show InChI InChI=1S/C22H25N5O/c1-16-7-8-21(23-13-16)27-11-9-20-18(14-27)22(25-15-24-20)26-19(10-12-28)17-5-3-2-4-6-17/h2-8,13,15,19,28H,9-12,14H2,1H3,(H,24,25,26)
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n/an/a 143n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118160
PNG
(US8653091, 55)
Show SMILES Cc1ccc(nc1)N1CCc2ncnc(N[C@H](CO)c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C22H22F3N5O/c1-14-2-7-20(26-10-14)30-9-8-18-17(11-30)21(28-13-27-18)29-19(12-31)15-3-5-16(6-4-15)22(23,24)25/h2-7,10,13,19,31H,8-9,11-12H2,1H3,(H,27,28,29)/t19-/m1/s1
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n/an/a 158n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118142
PNG
(US8653091, 37)
Show SMILES Cc1ccc(nc1)N1CCc2ncnc(N[C@H](CO)c3ccccc3)c2C1
Show InChI InChI=1S/C21H23N5O/c1-15-7-8-20(22-11-15)26-10-9-18-17(12-26)21(24-14-23-18)25-19(13-27)16-5-3-2-4-6-16/h2-8,11,14,19,27H,9-10,12-13H2,1H3,(H,23,24,25)/t19-/m1/s1
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n/an/a 161n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118148
PNG
(US8653091, 43)
Show SMILES COc1ccc(cc1)[C@@H](C)Nc1ncnc2CCN(Cc12)c1ccc(C)cn1
Show InChI InChI=1S/C22H25N5O/c1-15-4-9-21(23-12-15)27-11-10-20-19(13-27)22(25-14-24-20)26-16(2)17-5-7-18(28-3)8-6-17/h4-9,12,14,16H,10-11,13H2,1-3H3,(H,24,25,26)/t16-/m1/s1
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n/an/a 181n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118114
PNG
(US8653091, 9)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccncc1
Show InChI InChI=1S/C20H22N6/c1-14-3-4-19(22-11-14)26-10-7-18-17(12-26)20(24-13-23-18)25-15(2)16-5-8-21-9-6-16/h3-6,8-9,11,13,15H,7,10,12H2,1-2H3,(H,23,24,25)
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n/an/a 212n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118133
PNG
(US8653091, 28)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccc(Br)cc1
Show InChI InChI=1S/C21H22BrN5/c1-14-3-8-20(23-11-14)27-10-9-19-18(12-27)21(25-13-24-19)26-15(2)16-4-6-17(22)7-5-16/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26)
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n/an/a 212n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118131
PNG
(US8653091, 26)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5/c1-14-3-8-20(26-11-14)30-10-9-19-18(12-30)21(28-13-27-19)29-15(2)16-4-6-17(7-5-16)22(23,24)25/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,27,28,29)
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n/an/a 245n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118167
PNG
(US8653091, 62)
Show SMILES Cc1ccc(nc1)N1CCc2ncnc(NC(CO)c3cccnc3)c2C1
Show InChI InChI=1S/C20H22N6O/c1-14-4-5-19(22-9-14)26-8-6-17-16(11-26)20(24-13-23-17)25-18(12-27)15-3-2-7-21-10-15/h2-5,7,9-10,13,18,27H,6,8,11-12H2,1H3,(H,23,24,25)
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n/an/a 272n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118109
PNG
(US8653091, 4)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5/c1-14-6-7-20(26-11-14)30-9-8-19-18(12-30)21(28-13-27-19)29-15(2)16-4-3-5-17(10-16)22(23,24)25/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,27,28,29)
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n/an/a 301n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118145
PNG
(US8653091, 40)
Show SMILES C[C@@H](Nc1ncnc2CCN(Cc12)c1ccc(Cl)cn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19Cl2N5/c1-13(14-2-4-15(21)5-3-14)26-20-17-11-27(9-8-18(17)24-12-25-20)19-7-6-16(22)10-23-19/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,25,26)/t13-/m1/s1
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n/an/a 344n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118141
PNG
(US8653091, 36)
Show SMILES CCC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccccc1
Show InChI InChI=1S/C22H25N5/c1-3-19(17-7-5-4-6-8-17)26-22-18-14-27(12-11-20(18)24-15-25-22)21-10-9-16(2)13-23-21/h4-10,13,15,19H,3,11-12,14H2,1-2H3,(H,24,25,26)
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n/an/a 397n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118147
PNG
(US8653091, 42)
Show SMILES CC[C@@H](Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccccc1
Show InChI InChI=1S/C22H25N5/c1-3-19(17-7-5-4-6-8-17)26-22-18-14-27(12-11-20(18)24-15-25-22)21-10-9-16(2)13-23-21/h4-10,13,15,19H,3,11-12,14H2,1-2H3,(H,24,25,26)/t19-/m1/s1
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n/an/a 408n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118132
PNG
(US8653091, 27)
Show SMILES CC(Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H21Cl2N5/c1-13-3-6-20(24-10-13)28-8-7-19-17(11-28)21(26-12-25-19)27-14(2)16-5-4-15(22)9-18(16)23/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,25,26,27)
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n/an/a 415n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118118
PNG
(US8653091, 13)
Show SMILES CCc1ccc(cc1)C(C)Nc1ncnc2CCN(Cc12)c1ccc(C)cn1
Show InChI InChI=1S/C23H27N5/c1-4-18-6-8-19(9-7-18)17(3)27-23-20-14-28(12-11-21(20)25-15-26-23)22-10-5-16(2)13-24-22/h5-10,13,15,17H,4,11-12,14H2,1-3H3,(H,25,26,27)
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n/an/a 603n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118158
PNG
(US8653091, 53)
Show SMILES FC(F)(F)c1ccc(cn1)[C@H](Nc1ncnc2CCN(Cc12)c1ccc(Cl)cn1)C1CC1
Show InChI InChI=1S/C22H20ClF3N6/c23-15-4-6-19(28-10-15)32-8-7-17-16(11-32)21(30-12-29-17)31-20(13-1-2-13)14-3-5-18(27-9-14)22(24,25)26/h3-6,9-10,12-13,20H,1-2,7-8,11H2,(H,29,30,31)/t20-/m1/s1
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n/an/a 3.56E+3n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118111
PNG
(US8653091, 6)
Show SMILES C[C@H](Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN5/c1-14-3-8-20(23-11-14)27-10-9-19-18(12-27)21(25-13-24-19)26-15(2)16-4-6-17(22)7-5-16/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,24,25,26)/t15-/m0/s1
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n/an/a>7.20E+3n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118150
PNG
(US8653091, 45)
Show SMILES CC[C@H](Nc1ncnc2CCN(Cc12)c1ccc(C)cn1)c1ccccc1
Show InChI InChI=1S/C22H25N5/c1-3-19(17-7-5-4-6-8-17)26-22-18-14-27(12-11-20(18)24-15-25-22)21-10-9-16(2)13-23-21/h4-10,13,15,19H,3,11-12,14H2,1-2H3,(H,24,25,26)/t19-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118159
PNG
(US8653091, 54)
Show SMILES FC(F)(F)c1ccc(cn1)[C@@H](Nc1ncnc2CCN(Cc12)c1ccc(Cl)cn1)C1CC1
Show InChI InChI=1S/C22H20ClF3N6/c23-15-4-6-19(28-10-15)32-8-7-17-16(11-32)21(30-12-29-17)31-20(13-1-2-13)14-3-5-18(27-9-14)22(24,25)26/h3-6,9-10,12-13,20H,1-2,7-8,11H2,(H,29,30,31)/t20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM118156
PNG
(US8653091, 51)
Show SMILES C[C@H](Nc1ncnc2CCN(Cc12)c1ccc(Cl)cn1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H18ClF3N6/c1-12(13-2-4-17(25-8-13)20(22,23)24)29-19-15-10-30(7-6-16(15)27-11-28-19)18-5-3-14(21)9-26-18/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,27,28,29)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Evotec AG

US Patent


Assay Description
The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal ro...


US Patent US8653091 (2014)


BindingDB Entry DOI: 10.7270/Q20G3HTJ
More data for this
Ligand-Target Pair