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Compile Data Set for Download or QSAR

Found 1064 hits of ic50 data for polymerid = 49000979,49000981   
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 2


(Homo sapiens (Human))
BDBM50594500
PNG
(CHEMBL5202979)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 |r|
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n/an/a 3.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00812
BindingDB Entry DOI: 10.7270/Q2XS60DK
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50257829
PNG
(2-(4-amino-5-(5-iodo-2-isopropyl-4-methoxyphenoxy)...)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-6-20-17(22-16(15)19)21-10(7-23)8-24/h4-6,9-10,23-24H,7-8H2,1-3H3,(H3,19,20,21,22)
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n/an/a 5n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50413370
PNG
(CHEMBL495204)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#C
Show InChI InChI=1S/C16H18N4O2/c1-5-10-6-13(11(9(2)3)7-12(10)21-4)22-14-8-19-16(18)20-15(14)17/h1,6-9H,2-4H3,(H4,17,18,19,20)
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n/an/a 13n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of P2X2 receptor


Bioorg Med Chem Lett 19: 1628-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.003
BindingDB Entry DOI: 10.7270/Q29023NX
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319936
PNG
(3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F3N5O2S/c1-13-6-19(4-5-28-13)34-20-8-16(7-17(9-20)22-29-10-14(2)35-22)21(33)32-15(3)18-11-30-23(31-12-18)24(25,26)27/h4-12,15H,1-3H3,(H,32,33)/t15-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320093
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319936
PNG
(3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F3N5O2S/c1-13-6-19(4-5-28-13)34-20-8-16(7-17(9-20)22-29-10-14(2)35-22)21(33)32-15(3)18-11-30-23(31-12-18)24(25,26)27/h4-12,15H,1-3H3,(H,32,33)/t15-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320093
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50413367
PNG
(CHEMBL523173)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(C)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O3/c1-9(2)11-5-14(24-4)12(18)6-13(11)25-15-7-20-17(22-16(15)19)21-10(3)8-23/h5-7,9-10,23H,8H2,1-4H3,(H3,19,20,21,22)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50413364
PNG
(CHEMBL492300)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCCO)nc2N)cc1I
Show InChI InChI=1S/C16H21IN4O3/c1-9(2)10-6-13(23-3)11(17)7-12(10)24-14-8-20-16(19-4-5-22)21-15(14)18/h6-9,22H,4-5H2,1-3H3,(H3,18,19,20,21)
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n/an/a 16n/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319933
PNG
(N-[(1R)-1-(6- Methyl- pyridazin-3- yl)ethyl]-3- [(...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
Show InChI InChI=1S/C24H23N5O2S/c1-14-5-6-22(29-28-14)17(4)27-23(30)18-10-19(24-26-13-16(3)32-24)12-21(11-18)31-20-7-8-25-15(2)9-20/h5-13,17H,1-4H3,(H,27,30)/t17-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319933
PNG
(N-[(1R)-1-(6- Methyl- pyridazin-3- yl)ethyl]-3- [(...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
Show InChI InChI=1S/C24H23N5O2S/c1-14-5-6-22(29-28-14)17(4)27-23(30)18-10-19(24-26-13-16(3)32-24)12-21(11-18)31-20-7-8-25-15(2)9-20/h5-13,17H,1-4H3,(H,27,30)/t17-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319940
PNG
(N-[(1R)-1-(6- Methylpyridin- 3-yl)ethyl]- 3-[(2- m...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(C)nc1 |r|
Show InChI InChI=1S/C25H24N4O2S/c1-15-5-6-19(14-27-15)18(4)29-24(30)20-10-21(25-28-13-17(3)32-25)12-23(11-20)31-22-7-8-26-16(2)9-22/h5-14,18H,1-4H3,(H,29,30)/t18-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319940
PNG
(N-[(1R)-1-(6- Methylpyridin- 3-yl)ethyl]- 3-[(2- m...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(C)nc1 |r|
Show InChI InChI=1S/C25H24N4O2S/c1-15-5-6-19(14-27-15)18(4)29-24(30)20-10-21(25-28-13-17(3)32-25)12-23(11-20)31-22-7-8-26-16(2)9-22/h5-14,18H,1-4H3,(H,29,30)/t18-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319931
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-33-6-4-16)21(32)31-15(2)19-11-29-23(30-12-19)24(25,26)27/h7-12,15-16H,3-6,13H2,1-2H3,(H,31,32)/t15-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319931
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-28-22(35-14)18-7-17(8-20(9-18)34-13-16-3-5-33-6-4-16)21(32)31-15(2)19-11-29-23(30-12-19)24(25,26)27/h7-12,15-16H,3-6,13H2,1-2H3,(H,31,32)/t15-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320075
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H23F3N4O3S/c1-3-19-11-27-21(34-19)15-6-14(7-18(8-15)33-17-4-5-32-12-17)20(31)30-13(2)16-9-28-22(29-10-16)23(24,25)26/h6-11,13,17H,3-5,12H2,1-2H3,(H,30,31)/t13-,17-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320075
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H23F3N4O3S/c1-3-19-11-27-21(34-19)15-6-14(7-18(8-15)33-17-4-5-32-12-17)20(31)30-13(2)16-9-28-22(29-10-16)23(24,25)26/h6-11,13,17H,3-5,12H2,1-2H3,(H,30,31)/t13-,17-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320111
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320111
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-11-28-22(35-20)17-6-16(7-19(8-17)34-13-15-4-5-33-12-15)21(32)31-14(2)18-9-29-23(30-10-18)24(25,26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,31,32)/t14-,15+/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50413345
PNG
(CHEMBL494159)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(C)O)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O3/c1-9(2)11-5-14(24-4)12(18)6-13(11)25-15-8-21-17(22-16(15)19)20-7-10(3)23/h5-6,8-10,23H,7H2,1-4H3,(H3,19,20,21,22)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320137
PNG
(3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/t15-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319932
PNG
(N-[(1R)-1-(6- Methyl- pyridazin-3- yl)ethyl]-3- (5...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
Show InChI InChI=1S/C24H28N4O3S/c1-15-4-5-22(28-27-15)17(3)26-23(29)19-10-20(24-25-13-16(2)32-24)12-21(11-19)31-14-18-6-8-30-9-7-18/h4-5,10-13,17-18H,6-9,14H2,1-3H3,(H,26,29)/t17-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319958
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...)
Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r|
Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320137
PNG
(3-{[1-(2,2- difluoroethyl) piperidin-4-yl]oxy}- 5-...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-10-31-23(38-14)17-7-16(8-20(9-17)37-19-3-5-35(6-4-19)13-21(26)27)22(36)34-15(2)18-11-32-24(33-12-18)25(28,29)30/h7-12,15,19,21H,3-6,13H2,1-2H3,(H,34,36)/t15-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319932
PNG
(N-[(1R)-1-(6- Methyl- pyridazin-3- yl)ethyl]-3- (5...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
Show InChI InChI=1S/C24H28N4O3S/c1-15-4-5-22(28-27-15)17(3)26-23(29)19-10-20(24-25-13-16(2)32-24)12-21(11-19)31-14-18-6-8-30-9-7-18/h4-5,10-13,17-18H,6-9,14H2,1-3H3,(H,26,29)/t17-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319958
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-methylpy...)
Show SMILES CCc1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1 |r|
Show InChI InChI=1S/C25H30N4O3S/c1-4-23-14-28-25(33-23)20-9-19(10-22(11-20)32-15-18-5-7-31-8-6-18)24(30)29-16(2)21-12-26-17(3)27-13-21/h9-14,16,18H,4-8,15H2,1-3H3,(H,29,30)/t16-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM322574
PNG
(US10183937, Example 385 | US10202369, Example 385)
Show SMILES C[C@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m0/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320217
PNG
(3-{[4,4-difluoro-1-methylpiperidin-3-yl]methoxy}-5...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19+/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50413346
PNG
(CHEMBL494160)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(O)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-7-21-17(22-16(15)19)20-6-10(24)8-23/h4-5,7,9-10,23-24H,6,8H2,1-3H3,(H3,19,20,21,22)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50413367
PNG
(CHEMBL523173)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NC(C)CO)nc2N)cc1I
Show InChI InChI=1S/C17H23IN4O3/c1-9(2)11-5-14(24-4)12(18)6-13(11)25-15-7-20-17(22-16(15)19)21-10(3)8-23/h5-7,9-10,23H,8H2,1-4H3,(H3,19,20,21,22)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50413347
PNG
(CHEMBL494353)
Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(CO)CO)nc2N)cc1I
Show InChI InChI=1S/C18H25IN4O4/c1-10(2)12-4-15(26-3)13(19)5-14(12)27-16-7-22-18(23-17(16)20)21-6-11(8-24)9-25/h4-5,7,10-11,24-25H,6,8-9H2,1-3H3,(H3,20,21,22,23)
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Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR


Bioorg Med Chem Lett 19: 1632-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.097
BindingDB Entry DOI: 10.7270/Q2DN44ZM
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319962
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-5-(tetrahydro-2H-pyra...)
Show SMILES CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-13-28-22(35-20)16-8-15(9-19(10-16)34-18-4-6-33-7-5-18)21(32)31-14(2)17-11-29-23(30-12-17)24(25,26)27/h8-14,18H,3-7H2,1-2H3,(H,31,32)/t14-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319962
PNG
(3-(5-Ethyl-1,3-thiazol-2-yl)-5-(tetrahydro-2H-pyra...)
Show SMILES CCc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-13-28-22(35-20)16-8-15(9-19(10-16)34-18-4-6-33-7-5-18)21(32)31-14(2)17-11-29-23(30-12-17)24(25,26)27/h8-14,18H,3-7H2,1-2H3,(H,31,32)/t14-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319914
PNG
(N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...)
Show SMILES CC(NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C23H23ClFN3O3S/c1-13-11-27-23(32-13)16-7-15(8-19(9-16)31-18-3-5-30-6-4-18)22(29)28-14(2)21-20(25)10-17(24)12-26-21/h7-12,14,18H,3-6H2,1-2H3,(H,28,29)
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319914
PNG
(N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...)
Show SMILES CC(NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C23H23ClFN3O3S/c1-13-11-27-23(32-13)16-7-15(8-19(9-16)31-18-3-5-30-6-4-18)22(29)28-14(2)21-20(25)10-17(24)12-26-21/h7-12,14,18H,3-6H2,1-2H3,(H,28,29)
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320144
PNG
(N-[(1R)-1-(6- methylpyridazin-3- yl)ethyl]-3-(5- m...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
Show InChI InChI=1S/C25H28F3N5O2S/c1-15-4-5-22(32-31-15)17(3)30-23(34)18-10-19(24-29-13-16(2)36-24)12-21(11-18)35-20-6-8-33(9-7-20)14-25(26,27)28/h4-5,10-13,17,20H,6-9,14H2,1-3H3,(H,30,34)/t17-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320216
PNG
(3-{[4,4- difluoro-1- methylpiperidin- 3-yl]methoxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320144
PNG
(N-[(1R)-1-(6- methylpyridazin-3- yl)ethyl]-3-(5- m...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nn1 |r|
Show InChI InChI=1S/C25H28F3N5O2S/c1-15-4-5-22(32-31-15)17(3)30-23(34)18-10-19(24-29-13-16(2)36-24)12-21(11-18)35-20-6-8-33(9-7-20)14-25(26,27)28/h4-5,10-13,17,20H,6-9,14H2,1-3H3,(H,30,34)/t17-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320102
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(2R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-12-28-22(35-20)16-7-15(8-19(9-16)34-13-18-5-4-6-33-18)21(32)31-14(2)17-10-29-23(30-11-17)24(25,26)27/h7-12,14,18H,3-6,13H2,1-2H3,(H,31,32)/t14-,18-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320073
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
Show InChI InChI=1S/C23H26N4O3S/c1-4-20-12-24-23(31-20)17-9-16(10-19(11-17)30-18-7-8-29-13-18)22(28)25-15(3)21-6-5-14(2)26-27-21/h5-6,9-12,15,18H,4,7-8,13H2,1-3H3,(H,25,28)/t15-,18-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320102
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(2R)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CCCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c1-3-20-12-28-22(35-20)16-7-15(8-19(9-16)34-13-18-5-4-6-33-18)21(32)31-14(2)17-10-29-23(30-11-17)24(25,26)27/h7-12,14,18H,3-6,13H2,1-2H3,(H,31,32)/t14-,18-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320073
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
Show InChI InChI=1S/C23H26N4O3S/c1-4-20-12-24-23(31-20)17-9-16(10-19(11-17)30-18-7-8-29-13-18)22(28)25-15(3)21-6-5-14(2)26-27-21/h5-6,9-12,15,18H,4,7-8,13H2,1-3H3,(H,25,28)/t15-,18-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320216
PNG
(3-{[4,4- difluoro-1- methylpiperidin- 3-yl]methoxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CN(C)CCC2(F)F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H26F5N5O2S/c1-14-9-31-22(38-14)17-6-16(7-20(8-17)37-13-19-12-35(3)5-4-24(19,26)27)21(36)34-15(2)18-10-32-23(33-11-18)25(28,29)30/h6-11,15,19H,4-5,12-13H2,1-3H3,(H,34,36)/t15-,19?/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319918
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H23F3N4O3S/c1-13-10-27-21(34-13)16-7-15(8-19(9-16)33-18-3-5-32-6-4-18)20(31)30-14(2)17-11-28-22(29-12-17)23(24,25)26/h7-12,14,18H,3-6H2,1-2H3,(H,30,31)/t14-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319918
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5- (tetrahydro- 2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H23F3N4O3S/c1-13-10-27-21(34-13)16-7-15(8-19(9-16)33-18-3-5-32-6-4-18)20(31)30-14(2)17-11-28-22(29-12-17)23(24,25)26/h7-12,14,18H,3-6H2,1-2H3,(H,30,31)/t14-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320136
PNG
(3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM319839
PNG
(N-[1-(5-Chloro-3-fluoropyridin-2-yl)ethyl]-3-(cycl...)
Show SMILES CC(NC(=O)c1cc(OCC2CC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C22H21ClFN3O2S/c1-12-9-26-22(30-12)16-5-15(6-18(7-16)29-11-14-3-4-14)21(28)27-13(2)20-19(24)8-17(23)10-25-20/h5-10,13-14H,3-4,11H2,1-2H3,(H,27,28)
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320084
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(3S)- tetrahydro...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H23F3N4O3S/c1-3-19-11-27-21(34-19)15-6-14(7-18(8-15)33-17-4-5-32-12-17)20(31)30-13(2)16-9-28-22(29-10-16)23(24,25)26/h6-11,13,17H,3-5,12H2,1-2H3,(H,30,31)/t13-,17+/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320091
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-N- [(1R)-1-(6- methy...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)N[C@H](C)c1ccc(C)nn1 |r|
Show InChI InChI=1S/C24H28N4O3S/c1-4-21-12-25-24(32-21)19-9-18(10-20(11-19)31-14-17-7-8-30-13-17)23(29)26-16(3)22-6-5-15(2)27-28-22/h5-6,9-12,16-17H,4,7-8,13-14H2,1-3H3,(H,26,29)/t16-,17-/m1/s1
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Bayer Aktiengesellschaft

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10183937 (2019)


BindingDB Entry DOI: 10.7270/Q2028TNS
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM320136
PNG
(3-(5-methyl-1,3- thiazol-2-yl)-5-{[1- (2,2,2- trif...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCN(CC(F)(F)F)CC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H25F6N5O2S/c1-14-10-32-22(39-14)17-7-16(21(37)35-15(2)18-11-33-23(34-12-18)25(29,30)31)8-20(9-17)38-19-3-5-36(6-4-19)13-24(26,27)28/h7-12,15,19H,3-6,13H2,1-2H3,(H,35,37)/t15-/m1/s1
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BEYER AKTIENGESELLSCHAFT

US Patent


Assay Description
A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelati...


US Patent US10174016 (2019)


BindingDB Entry DOI: 10.7270/Q2GB264F
More data for this
Ligand-Target Pair
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