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Patent code US10202369

Compile Data Set for Download or QSAR

Found 883 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
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319898
PNG
(N-[1-(5- Chloro-3- fluoropyridin- 2-yl)ethyl]-3- (...)
Show SMILES CC(NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(Cl)cc1F
Show InChI InChI=1S/C23H23ClFN3O3S/c1-13-9-27-23(32-13)17-5-16(6-19(7-17)31-12-15-3-4-30-11-15)22(29)28-14(2)21-20(25)8-18(24)10-26-21/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,28,29)/t14?,15-/m0/s1
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US Patent
n/an/a 3n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM319905
PNG
(3-(5-Methyl- 1,3-thiazol-2- yl)-5-[(3S)- tetrahydr...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3S/c1-13-10-27-22(34-13)17-7-16(8-18(9-17)33-12-15-5-6-32-11-15)21(31)28-14(2)19-3-4-20(30-29-19)23(24,25)26/h3-4,7-10,14-15H,5-6,11-12H2,1-2H3,(H,28,31)/t14-,15+/m1/s1
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US Patent
n/an/a 330n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319909
PNG
(N-[(5- Methylpyrazin- 2-yl)methyl]-3- (5-methyl- 1...)
Show SMILES Cc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)NCc1cnc(C)cn1
Show InChI InChI=1S/C22H24N4O3S/c1-14-8-24-19(10-23-14)11-25-21(27)17-5-18(22-26-9-15(2)30-22)7-20(6-17)29-13-16-3-4-28-12-16/h5-10,16H,3-4,11-13H2,1-2H3,(H,25,27)/t16-/m1/s1
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US Patent
n/an/a 201n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319921
PNG
(N-[(6- Methoxy- pyridazin-3- yl)methyl]-3- (5-meth...)
Show SMILES COc1ccc(CNC(=O)c2cc(OC3CCOCC3)cc(c2)-c2ncc(C)s2)nn1
Show InChI InChI=1S/C22H24N4O4S/c1-14-12-24-22(31-14)16-9-15(10-19(11-16)30-18-5-7-29-8-6-18)21(27)23-13-17-3-4-20(28-2)26-25-17/h3-4,9-12,18H,5-8,13H2,1-2H3,(H,23,27)
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n/an/a 30n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319922
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)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3S/c1-13-12-27-22(34-13)16-9-15(10-18(11-16)33-17-5-7-32-8-6-17)21(31)28-14(2)19-3-4-20(30-29-19)23(24,25)26/h3-4,9-12,14,17H,5-8H2,1-2H3,(H,28,31)/t14-/m1/s1
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n/an/a 11n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319924
PNG
(N-[(1R)-1-(6- Methylpyridin- 3-yl)ethyl]-3- (5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCOCC2)cc(c1)-c1ncc(C)s1)c1ccc(C)nc1
Show InChI InChI=1S/C24H27N3O3S/c1-15-4-5-18(14-25-15)17(3)27-23(28)19-10-20(24-26-13-16(2)31-24)12-22(11-19)30-21-6-8-29-9-7-21/h4-5,10-14,17,21H,6-9H2,1-3H3,(H,27,28)/t17-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320194
PNG
(3-{[(3S)-4- methylmorpholin- 3- yl]methoxy}-5- (5-...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2COCCN2C)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N4O3S/c1-15-11-30-24(36-15)19-8-18(9-21(10-19)35-14-20-13-34-7-6-32(20)3)23(33)31-16(2)17-4-5-22(29-12-17)25(26,27)28/h4-5,8-12,16,20H,6-7,13-14H2,1-3H3,(H,31,33)/t16-,20+/m1/s1
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US Patent
n/an/a 1.25E+3n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320198
PNG
(3-{[4-fluoro-1- methylpyrrolidin- 2- yl]methoxy}-5...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CC(F)CN2C)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F4N4O2S/c1-14-10-31-24(36-14)18-6-17(7-21(8-18)35-13-20-9-19(26)12-33(20)3)23(34)32-15(2)16-4-5-22(30-11-16)25(27,28)29/h4-8,10-11,15,19-20H,9,12-13H2,1-3H3,(H,32,34)/t15-,19?,20?/m1/s1
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n/an/a 21n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320200
PNG
(3-(5-chloro- 1,3-thiazol-2- yl)-5-{[(2R)-4- methyl...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(Cl)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23ClF3N5O3S/c1-13(16-8-29-22(30-9-16)23(25,26)27)31-20(33)14-5-15(21-28-10-19(24)36-21)7-17(6-14)35-12-18-11-32(2)3-4-34-18/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,31,33)/t13-,18-/m1/s1
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n/an/a 13n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320203
PNG
(3-{[(2S)-4- methylmorpholin 2-yl]methoxy}-5- (5-me...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N4O3S/c1-15-11-30-24(36-15)19-8-18(9-20(10-19)35-14-21-13-32(3)6-7-34-21)23(33)31-16(2)17-4-5-22(29-12-17)25(26,27)28/h4-5,8-12,16,21H,6-7,13-14H2,1-3H3,(H,31,33)/t16-,21+/m1/s1
PDB

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US Patent
n/an/a 41n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320211
PNG
(3-{[(2S)-1- methylpyrrolidin- 2-yl]methoxy}-5- (5-...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCCN2C)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O2S/c1-14-10-28-22(35-14)17-7-16(8-20(9-17)34-13-19-5-4-6-32(19)3)21(33)31-15(2)18-11-29-23(30-12-18)24(25,26)27/h7-12,15,19H,4-6,13H2,1-3H3,(H,31,33)/t15-,19+/m1/s1
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UniChem
US Patent
n/an/a 3.75E+3n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320215
PNG
(3-(5-methyl- 1,3-thiazol-2- yl)-5-{[(2R)-4- (propa...)
Show SMILES CC(C)N1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1
Show InChI InChI=1S/C26H30F3N5O3S/c1-15(2)34-5-6-36-22(13-34)14-37-21-8-18(7-19(9-21)24-30-10-16(3)38-24)23(35)33-17(4)20-11-31-25(32-12-20)26(27,28)29/h7-12,15,17,22H,5-6,13-14H2,1-4H3,(H,33,35)/t17-,22+/m1/s1
PDB

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n/an/a 13n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
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
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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n/an/a 75n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320226
PNG
(Methyl (2S)-2- {[3-(5-methyl- 1,3-thiazol-2- yl)-5...)
Show SMILES COC(=O)N1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1
Show InChI InChI=1S/C25H26F3N5O5S/c1-14-9-29-22(39-14)17-6-16(21(34)32-15(2)18-10-30-23(31-11-18)25(26,27)28)7-19(8-17)38-13-20-12-33(4-5-37-20)24(35)36-3/h6-11,15,20H,4-5,12-13H2,1-3H3,(H,32,34)/t15-,20+/m1/s1
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UniChem
US Patent
n/an/a 1.03E+3n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM319935
PNG
(N-[(1R)-1-(5- Methylpyrazin- 2-yl)ethyl]- 3-[(2- m...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1
Show InChI InChI=1S/C24H23N5O2S/c1-14-7-20(5-6-25-14)31-21-9-18(8-19(10-21)24-28-12-16(3)32-24)23(30)29-17(4)22-13-26-15(2)11-27-22/h5-13,17H,1-4H3,(H,29,30)/t17-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(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
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
PDB

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US Patent
n/an/a 9n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM319942
PNG
(N-[(1R)-1-(5- Methylpyrazin- 2-yl)ethyl]-3- [(5-me...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2nnc(C)s2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1
Show InChI InChI=1S/C21H20N6O2S2/c1-11-8-23-18(10-22-11)13(3)25-19(28)15-5-16(20-24-9-12(2)30-20)7-17(6-15)29-21-27-26-14(4)31-21/h5-10,13H,1-4H3,(H,25,28)/t13-/m1/s1
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UniChem
US Patent
n/an/a 2.41E+3n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319947
PNG
(N-[(1R)-1-(6- Methylpyridin- 3-yl)ethyl]-3- (5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2nccs2)cc(c1)-c1ncc(C)s1)c1ccc(C)nc1
Show InChI InChI=1S/C22H20N4O2S2/c1-13-4-5-16(12-24-13)15(3)26-20(27)17-8-18(21-25-11-14(2)30-21)10-19(9-17)28-22-23-6-7-29-22/h4-12,15H,1-3H3,(H,26,27)/t15-/m1/s1
PDB

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US Patent
n/an/a 38n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM319948
PNG
(N-[(1R)-1-(5-Chloropyridin-2-yl)ethyl]-3-(5-chloro...)
Show SMILES COC(C)(C)COc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1ccc(Cl)cn1
Show InChI InChI=1S/C22H23Cl2N3O3S/c1-13(18-6-5-16(23)10-25-18)27-20(28)14-7-15(21-26-11-19(24)31-21)9-17(8-14)30-12-22(2,3)29-4/h5-11,13H,12H2,1-4H3,(H,27,28)/t13-/m1/s1
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n/an/a 187n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319951
PNG
(N-[(6-Methylpyridazin-3-yl)methyl]-3-(tetrahydro-2...)
Show SMILES Cc1ccc(CNC(=O)c2cc(OCC3CCOCC3)cc(c2)-c2ncc(s2)C(F)(F)F)nn1
Show InChI InChI=1S/C23H23F3N4O3S/c1-14-2-3-18(30-29-14)11-27-21(31)16-8-17(22-28-12-20(34-22)23(24,25)26)10-19(9-16)33-13-15-4-6-32-7-5-15/h2-3,8-10,12,15H,4-7,11,13H2,1H3,(H,27,31)
PDB

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UniChem
US Patent
n/an/a 198n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319954
PNG
(3-(5-Cyclobutyl-1,3-thiazol-2-yl)-N-[(1R)-1-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(C)cn1
Show InChI InChI=1S/C26H30N4O3S/c1-16-11-28-23(12-27-16)17(2)30-25(31)20-8-21(26-29-13-24(34-26)19-4-3-5-19)10-22(9-20)33-15-18-6-7-32-14-18/h8-13,17-19H,3-7,14-15H2,1-2H3,(H,30,31)/t17-,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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM319955
PNG
(3-(5-Cyclobutyl-1,3-thiazol-2-yl)-N-[(6-methylpyri...)
Show SMILES Cc1ccc(CNC(=O)c2cc(OC[C@H]3CCOC3)cc(c2)-c2ncc(s2)C2CCC2)nn1
Show InChI InChI=1S/C25H28N4O3S/c1-16-5-6-21(29-28-16)12-26-24(30)19-9-20(25-27-13-23(33-25)18-3-2-4-18)11-22(10-19)32-15-17-7-8-31-14-17/h5-6,9-11,13,17-18H,2-4,7-8,12,14-15H2,1H3,(H,26,30)/t17-/m0/s1
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n/an/a 1.17E+3n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319957
PNG
(3-(5-Cyclobutyl-1,3-thiazol-2-yl)-N-[(1R)-1-(2-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(C)nc1
Show InChI InChI=1S/C27H32N4O3S/c1-17(23-13-28-18(2)29-14-23)31-26(32)21-10-22(27-30-15-25(35-27)20-4-3-5-20)12-24(11-21)34-16-19-6-8-33-9-7-19/h10-15,17,19-20H,3-9,16H2,1-2H3,(H,31,32)/t17-/m1/s1
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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM319959
PNG
(N-[(1R)-1-(2-Methylpyrimidin-5-yl)ethyl]-3-[5-(pro...)
Show SMILES CC(C)c1cnc(s1)-c1cc(OCC2CCOCC2)cc(c1)C(=O)N[C@H](C)c1cnc(C)nc1
Show InChI InChI=1S/C26H32N4O3S/c1-16(2)24-14-29-26(34-24)21-9-20(10-23(11-21)33-15-19-5-7-32-8-6-19)25(31)30-17(3)22-12-27-18(4)28-13-22/h9-14,16-17,19H,5-8,15H2,1-4H3,(H,30,31)/t17-/m1/s1
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n/an/a 532n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319963
PNG
(N-[(1R)-1-(2-Methylpyrimidin-5-yl)ethyl]-3-(5-meth...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1
Show InChI InChI=1S/C22H24N4O3S/c1-13-9-25-22(30-13)17-6-16(7-20(8-17)29-19-4-5-28-12-19)21(27)26-14(2)18-10-23-15(3)24-11-18/h6-11,14,19H,4-5,12H2,1-3H3,(H,26,27)/t14-,19+/m1/s1
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n/an/a 74n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320227
PNG
(3-(Azetidin-3-ylmethoxy)-5-(5-methyl-1,3-thiazol-2...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CNC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O2S/c1-12-6-27-20(33-12)16-3-15(4-18(5-16)32-11-14-7-26-8-14)19(31)30-13(2)17-9-28-21(29-10-17)22(23,24)25/h3-6,9-10,13-14,26H,7-8,11H2,1-2H3,(H,30,31)/t13-/m1/s1
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n/an/a 82n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320230
PNG
(3-{[(5S)-3-methyl-2- oxo-1,3-oxazolidin- 5-yl]meth...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CN(C)C(=O)O2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O4S/c1-12-7-27-20(36-12)15-4-14(5-17(6-15)34-11-18-10-31(3)22(33)35-18)19(32)30-13(2)16-8-28-21(29-9-16)23(24,25)26/h4-9,13,18H,10-11H2,1-3H3,(H,30,32)/t13-,18+/m1/s1
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n/an/a 1.36E+3n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320231
PNG
(3-{[(5R)-3-methyl-2- oxo-1,3-oxazolidin- 5-yl]meth...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)C(=O)O2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O4S/c1-12-7-27-20(36-12)15-4-14(5-17(6-15)34-11-18-10-31(3)22(33)35-18)19(32)30-13(2)16-8-28-21(29-9-16)23(24,25)26/h4-9,13,18H,10-11H2,1-3H3,(H,30,32)/t13-,18-/m1/s1
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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320232
PNG
(3-{[(2R)-4-methyl-5- oxomorpholin-2-yl] methoxy}-5...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)C(=O)CO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N5O4S/c1-13-7-28-22(37-13)16-4-15(5-18(6-16)35-11-19-10-32(3)20(33)12-36-19)21(34)31-14(2)17-8-29-23(30-9-17)24(25,26)27/h4-9,14,19H,10-12H2,1-3H3,(H,31,34)/t14-,19-/m1/s1
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n/an/a 1.72E+3n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320240
PNG
(3-(5-Methyl-1,3-thiazol-2-yl)-5-[2-oxa-5-azabicycl...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC23CNC(CO2)C3)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N5O3S/c1-13-7-28-21(36-13)16-3-15(4-19(5-16)34-12-23-6-18(10-35-23)31-11-23)20(33)32-14(2)17-8-29-22(30-9-17)24(25,26)27/h3-5,7-9,14,18,31H,6,10-12H2,1-2H3,(H,32,33)/t14-,18?,23?/m1/s1
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n/an/a 15n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320241
PNG
(3-(5-methyl-1,3- thiazol-2-yl)-5-[(5- propyl-2- ox...)
Show SMILES CCCN1CC2(COc3cc(cc(c3)-c3ncc(C)s3)C(=O)N[C@H](C)c3cnc(nc3)C(F)(F)F)CC1CO2
Show InChI InChI=1S/C27H30F3N5O3S/c1-4-5-35-14-26(9-21(35)13-38-26)15-37-22-7-18(6-19(8-22)24-31-10-16(2)39-24)23(36)34-17(3)20-11-32-25(33-12-20)27(28,29)30/h6-8,10-12,17,21H,4-5,9,13-15H2,1-3H3,(H,34,36)/t17-,21?,26?/m1/s1
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n/an/a 1.71E+3n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320242
PNG
(Methyl 1-{[3-(5-methyl-1,3-thiazol-2-yl)-5-({(1R)-...)
Show SMILES COC(=O)N1CC2(COc3cc(cc(c3)-c3ncc(C)s3)C(=O)N[C@H](C)c3cnc(nc3)C(F)(F)F)CC1CO2
Show InChI InChI=1S/C26H26F3N5O5S/c1-14-8-30-22(40-14)17-4-16(21(35)33-15(2)18-9-31-23(32-10-18)26(27,28)29)5-20(6-17)38-13-25-7-19(11-39-25)34(12-25)24(36)37-3/h4-6,8-10,15,19H,7,11-13H2,1-3H3,(H,33,35)/t15-,19?,25?/m1/s1
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n/an/a 22n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320244
PNG
(3-{[(2S)-4-ethylmorpholin-2-yl]methoxy}-5-(5-methy...)
Show SMILES CCN1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)N[C@H](C)c2cnc(nc2)C(F)(F)F)C1
Show InChI InChI=1S/C25H28F3N5O3S/c1-4-33-5-6-35-21(13-33)14-36-20-8-17(7-18(9-20)23-29-10-15(2)37-23)22(34)32-16(3)19-11-30-24(31-12-19)25(26,27)28/h7-12,16,21H,4-6,13-14H2,1-3H3,(H,32,34)/t16-,21+/m1/s1
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n/an/a 697n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320246
PNG
(3-(5-methyl- 1,3-thiazol-2- yl)-5-[(2R)- morpholin...)
Show SMILES C[C@H](NC(=O)c1cc(OC[C@H]2CNCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O3S/c1-13-8-28-21(35-13)16-5-15(6-18(7-16)34-12-19-11-27-3-4-33-19)20(32)31-14(2)17-9-29-22(30-10-17)23(24,25)26/h5-10,14,19,27H,3-4,11-12H2,1-2H3,(H,31,32)/t14-,19+/m0/s1
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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM322607
PNG
(3-(5-Ethyl-1,3- thiazol-2-yl)-5- {[(2S)-4- methyl-...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O3S/c1-4-20-12-29-24(37-20)17-9-16(10-18(11-17)36-14-19-13-33(3)7-8-35-19)23(34)30-15(2)21-5-6-22(32-31-21)25(26,27)28/h5-6,9-12,15,19H,4,7-8,13-14H2,1-3H3,(H,30,34)/t15-,19+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM322608
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methyl-...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O3S/c1-4-20-12-29-24(37-20)17-9-16(10-18(11-17)36-14-19-13-33(3)7-8-35-19)23(34)30-15(2)21-5-6-22(32-31-21)25(26,27)28/h5-6,9-12,15,19H,4,7-8,13-14H2,1-3H3,(H,30,34)/t15-,19-/m1/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM319982
PNG
(3-(1- azabicyclo[2.2.2] oct-4-yloxy)-5-(5- methyl-...)
Show SMILES C[C@@H](NC(=O)c1cc(OC23CCN(CC2)CC3)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O2S/c1-15-12-29-22(36-15)18-9-17(10-20(11-18)35-24-3-6-33(7-4-24)8-5-24)21(34)32-16(2)19-13-30-23(31-14-19)25(26,27)28/h9-14,16H,3-8H2,1-2H3,(H,32,34)/t16-/m1/s1
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n/an/a 936n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319986
PNG
(N-{(1R)-1-[2- (difluoromethyl) pyrimidin-5- yl]eth...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)F
Show InChI InChI=1S/C22H22F2N4O3S/c1-12-8-27-22(32-12)15-5-14(6-18(7-15)31-17-3-4-30-11-17)21(29)28-13(2)16-9-25-20(19(23)24)26-10-16/h5-10,13,17,19H,3-4,11H2,1-2H3,(H,28,29)/t13-,17-/m1/s1
PDB

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n/an/a 27n/an/an/an/an/an/a



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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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM319991
PNG
(3-{[(3R)-1- methylpiperidin-3- yl]oxy}-5-(5- methy...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@@H]2CCCN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O2S/c1-14-10-28-22(35-14)17-7-16(8-20(9-17)34-19-5-4-6-32(3)13-19)21(33)31-15(2)18-11-29-23(30-12-18)24(25,26)27/h7-12,15,19H,4-6,13H2,1-3H3,(H,31,33)/t15-,19-/m1/s1
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n/an/a 21n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM319859
PNG
(3-(5-Methyl-1,3-thiazol-2-yl)-5-[(3S)-tetrahydrofu...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O3S/c1-12-8-26-20(33-12)15-5-14(6-18(7-15)32-17-3-4-31-11-17)19(30)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h5-10,13,17H,3-4,11H2,1-2H3,(H,29,30)/t13-,17+/m1/s1
PDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



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US Patent


Assay Description
Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1...


US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM320181
PNG
(3-{[(2R)-4-methylmorpholin-2-yl]methoxy}-5-(5-meth...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O3S/c1-14-9-28-22(36-14)17-6-16(7-19(8-17)35-13-20-12-32(3)4-5-34-20)21(33)31-15(2)18-10-29-23(30-11-18)24(25,26)27/h6-11,15,20H,4-5,12-13H2,1-3H3,(H,31,33)/t15-,20-/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 1.80E+4n/an/an/an/an/an/a



Bayer Aktiengesellschaft

US Patent


Assay Description
Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1...


US Patent US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM319997
PNG
(N-{[(1R)-1-[6- (difluoromethyl) pyridin-3-yl]ethyl...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)F
Show InChI InChI=1S/C22H21F2N3O3S/c1-12-8-26-22(31-12)16-5-15(6-17(7-16)30-18-10-29-11-18)21(28)27-13(2)14-3-4-19(20(23)24)25-9-14/h3-9,13,18,20H,10-11H2,1-2H3,(H,27,28)/t13-/m1/s1
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UniChem
US Patent
n/an/a 1.11E+3n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320004
PNG
(N-{(1R)-1-[6- (difluoromethyl) pyridin-3-yl]ethyl}...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)F
Show InChI InChI=1S/C23H23F2N3O3S/c1-13-10-27-23(32-13)17-7-16(8-19(9-17)31-18-5-6-30-12-18)22(29)28-14(2)15-3-4-20(21(24)25)26-11-15/h3-4,7-11,14,18,21H,5-6,12H2,1-2H3,(H,28,29)/t14-,18-/m1/s1
PDB

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UniChem
US Patent
n/an/a 26n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320006
PNG
(3-[(3S)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- et...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@@H]2CN3CCC2CC3)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O2S/c1-3-21-13-30-24(37-21)18-8-17(9-20(10-18)36-22-14-34-6-4-16(22)5-7-34)23(35)33-15(2)19-11-31-25(32-12-19)26(27,28)29/h8-13,15-16,22H,3-7,14H2,1-2H3,(H,33,35)/t15-,22-/m1/s1
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UniChem
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n/an/a 311n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320007
PNG
(3-[(3R)-1- azabicyclo[2.2.2] oct-3-yloxy]-5-(5- et...)
Show SMILES CCc1cnc(s1)-c1cc(O[C@H]2CN3CCC2CC3)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O2S/c1-3-21-13-30-24(37-21)18-8-17(9-20(10-18)36-22-14-34-6-4-16(22)5-7-34)23(35)33-15(2)19-11-31-25(32-12-19)26(27,28)29/h8-13,15-16,22H,3-7,14H2,1-2H3,(H,33,35)/t15-,22+/m1/s1
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UniChem
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n/an/a 11n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320011
PNG
(3-[(2R)-1,4-dioxan-2- ylmethoxy]-5-(5- methyl-1,3-...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2COCCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O4S/c1-13-8-27-21(35-13)16-5-15(6-18(7-16)34-12-19-11-32-3-4-33-19)20(31)30-14(2)17-9-28-22(29-10-17)23(24,25)26/h5-10,14,19H,3-4,11-12H2,1-2H3,(H,30,31)/t14-,19-/m1/s1
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UniChem
US Patent
n/an/a 1.88E+3n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320013
PNG
(3-[(2S)-1,4-dioxan- 2-ylmethoxy]-5-(5- methyl-1,3-...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2COCCO2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O4S/c1-14-10-29-23(35-14)18-7-17(8-19(9-18)34-13-20-12-32-5-6-33-20)22(31)30-15(2)16-3-4-21(28-11-16)24(25,26)27/h3-4,7-11,15,20H,5-6,12-13H2,1-2H3,(H,30,31)/t15-,20+/m1/s1
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n/an/a 31n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320016
PNG
(Trans Isomer 1; 3- {[3-hydroxybutan- 2-yl]oxy}-5-(...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-11-10-26-21(33-11)16-7-15(8-17(9-16)32-14(4)13(3)30)20(31)27-12(2)18-5-6-19(29-28-18)22(23,24)25/h5-10,12-14,30H,1-4H3,(H,27,31)/t12-,13?,14?/m1/s1
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n/an/a 398n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320019
PNG
(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3N3O3S/c1-11(14-4-5-18(27-9-14)22(24,25)26)29-20(31)15-6-16(21-28-10-19(23)33-21)8-17(7-15)32-13(3)12(2)30/h4-13,30H,1-3H3,(H,29,31)/t11-,12?,13?/m1/s1
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n/an/a 247n/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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X2/3


()
BDBM320017
PNG
(Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-...)
Show SMILES CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C21H20ClF3N4O3S/c1-10(15-7-27-20(28-8-15)21(23,24)25)29-18(31)13-4-14(19-26-9-17(22)33-19)6-16(5-13)32-12(3)11(2)30/h4-12,30H,1-3H3,(H,29,31)/t10-,11?,12?/m1/s1
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n/an/a 218n/an/an/an/an/an/a



Bayer Aktiengesellschaft

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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 US10202369 (2019)

More data for this
Ligand-Target Pair
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