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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
P2X2/3


()
BDBM319897
PNG
(N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CCCO2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1
Show InChI InChI=1S/C23H26N4O3S/c1-14-10-25-21(12-24-14)16(3)27-22(28)17-7-18(23-26-11-15(2)31-23)9-20(8-17)30-13-19-5-4-6-29-19/h7-12,16,19H,4-6,13H2,1-3H3,(H,27,28)/t16-,19-/m1/s1
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US Patent
n/an/a 984n/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


()
BDBM319900
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-/m0/s1
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US Patent
n/an/a 1.00E+4n/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


()
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



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))
BDBM319907
PNG
(N-[(1R)-1-(5- Methylpyrazin- 2-yl)ethyl]- 3-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(C)cn1
Show InChI InChI=1S/C23H26N4O3S/c1-14-9-25-21(11-24-14)16(3)27-22(28)18-6-19(23-26-10-15(2)31-23)8-20(7-18)30-13-17-4-5-29-12-17/h6-11,16-17H,4-5,12-13H2,1-3H3,(H,27,28)/t16-,17-/m1/s1
PDB

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US Patent
n/an/a 14n/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))
BDBM319908
PNG
(N-[(6- Methylpyridazin- 3-yl)methyl]-3- (5-methyl-...)
Show SMILES Cc1cnc(s1)-c1cc(OC[C@@H]2CCOC2)cc(c1)C(=O)NCc1ccc(C)nn1
Show InChI InChI=1S/C22H24N4O3S/c1-14-3-4-19(26-25-14)11-23-21(27)17-7-18(22-24-10-15(2)30-22)9-20(8-17)29-13-16-5-6-28-12-16/h3-4,7-10,16H,5-6,11-13H2,1-2H3,(H,23,27)/t16-/m1/s1
PDB

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UniChem
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
P2X purinoceptor 3


(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)
PDB

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US Patent
n/an/a 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


()
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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n/an/a 34n/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))
BDBM319915
PNG
(N-[(6- Methylpyridazin- 3-yl)methyl]-3- (5-methyl-...)
Show SMILES Cc1cnc(s1)-c1cc(OC2CCOCC2)cc(c1)C(=O)NCc1ccc(C)nn1
Show InChI InChI=1S/C22H24N4O3S/c1-14-3-4-18(26-25-14)13-23-21(27)16-9-17(22-24-12-15(2)30-22)11-20(10-16)29-19-5-7-28-8-6-19/h3-4,9-12,19H,5-8,13H2,1-2H3,(H,23,27)
PDB

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US Patent
n/an/a 28n/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


()
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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US Patent
n/an/a 217n/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


()
BDBM320199
PNG
(3-{[(2R)-4-methylmorpholin-2-yl]methoxyl}-5-(5-met...)
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
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US Patent
n/an/a 977n/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


()
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 506n/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))
BDBM320201
PNG
(3-{[(2S)-4- methylmorpholin- 2-yl]methoxy}-5- (5-m...)
Show SMILES CN1CCO[C@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)NCc2cnc(nc2)C(F)(F)F)C1
Show InChI InChI=1S/C23H24F3N5O3S/c1-14-8-28-21(35-14)17-5-16(6-18(7-17)34-13-19-12-31(2)3-4-33-19)20(32)27-9-15-10-29-22(30-11-15)23(24,25)26/h5-8,10-11,19H,3-4,9,12-13H2,1-2H3,(H,27,32)/t19-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 84n/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))
BDBM320205
PNG
(3-{[(2R)-4- methylmorpholin- 2-yl]methoxy}-5- (5-m...)
Show SMILES CN1CCO[C@@H](COc2cc(cc(c2)-c2ncc(C)s2)C(=O)NCc2cnc(nc2)C(F)(F)F)C1
Show InChI InChI=1S/C23H24F3N5O3S/c1-14-8-28-21(35-14)17-5-16(6-18(7-17)34-13-19-12-31(2)3-4-33-19)20(32)27-9-15-10-29-22(30-11-15)23(24,25)26/h5-8,10-11,19H,3-4,9,12-13H2,1-2H3,(H,27,32)/t19-/m1/s1
PDB

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PC cid
PC sid
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US Patent
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 US10202369 (2019)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320206
PNG
(3-{[(2R)-4- methylmorpholin- 2-yl]methoxy}-5- (5-m...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O3S/c1-14-11-28-23(36-14)17-8-16(9-18(10-17)35-13-19-12-32(3)6-7-34-19)22(33)29-15(2)20-4-5-21(31-30-20)24(25,26)27/h4-5,8-11,15,19H,6-7,12-13H2,1-3H3,(H,29,33)/t15-,19-/m1/s1
PDB

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PC sid
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US Patent
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
P2X2/3


()
BDBM320206
PNG
(3-{[(2R)-4- methylmorpholin- 2-yl]methoxy}-5- (5-m...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O3S/c1-14-11-28-23(36-14)17-8-16(9-18(10-17)35-13-19-12-32(3)6-7-34-19)22(33)29-15(2)20-4-5-21(31-30-20)24(25,26)27/h4-5,8-11,15,19H,6-7,12-13H2,1-3H3,(H,29,33)/t15-,19-/m1/s1
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PC sid
UniChem
US Patent
n/an/a 2.83E+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))
BDBM320210
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/m1/s1
PDB

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US Patent
n/an/a 5n/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


()
BDBM320210
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- {[(2R)-4- methylm...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CN(C)CCO2)cc(c1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O3S/c1-4-21-12-29-23(37-21)17-7-16(8-19(9-17)36-14-20-13-33(3)5-6-35-20)22(34)32-15(2)18-10-30-24(31-11-18)25(26,27)28/h7-12,15,20H,4-6,13-14H2,1-3H3,(H,32,34)/t15-,20-/m1/s1
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US Patent
n/an/a 273n/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


()
BDBM320214
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
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UniChem
US Patent
n/an/a 954n/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


()
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
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UniChem
US Patent
n/an/a 432n/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


()
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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US Patent
n/an/a 28n/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))
BDBM320222
PNG
(3-{[(3S)-4- methylmorpholin-3- yl]methoxy}-5-(5- m...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@@H]2COCCN2C)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O3S/c1-14-11-28-23(36-14)17-8-16(9-19(10-17)35-13-18-12-34-7-6-32(18)3)22(33)29-15(2)20-4-5-21(31-30-20)24(25,26)27/h4-5,8-11,15,18H,6-7,12-13H2,1-3H3,(H,29,33)/t15-,18+/m1/s1
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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
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320223
PNG
(3-{[(2R)-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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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))
BDBM319934
PNG
(N-[(6- Methyl- pyridazin-3- yl)methyl]-3- [(2- met...)
Show SMILES Cc1cnc(s1)-c1cc(Oc2ccnc(C)c2)cc(c1)C(=O)NCc1ccc(C)nn1
Show InChI InChI=1S/C23H21N5O2S/c1-14-4-5-19(28-27-14)13-25-22(29)17-9-18(23-26-12-16(3)31-23)11-21(10-17)30-20-6-7-24-15(2)8-20/h4-12H,13H2,1-3H3,(H,25,29)
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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
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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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))
BDBM319938
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)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5O2S/c1-13-8-18(6-7-28-13)34-19-10-16(9-17(11-19)23-29-12-14(2)35-23)22(33)30-15(3)20-4-5-21(32-31-20)24(25,26)27/h4-12,15H,1-3H3,(H,30,33)/t15-/m1/s1
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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
P2X2/3


()
BDBM319939
PNG
(3-[(2-methylpyridin-4-yl)oxy]-N-[(1R)-1-(2-methylp...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1cnc(C)nc1
Show InChI InChI=1S/C24H23N5O2S/c1-14-7-21(5-6-25-14)31-22-9-18(8-19(10-22)24-28-11-15(2)32-24)23(30)29-16(3)20-12-26-17(4)27-13-20/h5-13,16H,1-4H3,(H,29,30)/t16-/m1/s1
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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
P2X2/3


()
BDBM319944
PNG
(3-[(5-Methyl- 1,3,4- thiadiazol-2- yl)oxy]-5-(5- m...)
Show SMILES C[C@@H](NC(=O)c1cc(Oc2nnc(C)s2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N6O2S2/c1-10-7-25-18(33-10)14-4-13(5-16(6-14)32-20-30-29-12(3)34-20)17(31)28-11(2)15-8-26-19(27-9-15)21(22,23)24/h4-9,11H,1-3H3,(H,28,31)/t11-/m1/s1
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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
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
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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
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)
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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
P2X2/3


()
BDBM319952
PNG
(3-(5-Cyclobutyl-1,3-thiazol-2-yl)-N-[(6-methylpyri...)
Show SMILES Cc1ccc(CNC(=O)c2cc(OCC3CCOCC3)cc(c2)-c2ncc(s2)C2CCC2)nn1
Show InChI InChI=1S/C26H30N4O3S/c1-17-5-6-22(30-29-17)14-27-25(31)20-11-21(26-28-15-24(34-26)19-3-2-4-19)13-23(12-20)33-16-18-7-9-32-10-8-18/h5-6,11-13,15,18-19H,2-4,7-10,14,16H2,1H3,(H,27,31)
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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
P2X2/3


()
BDBM319953
PNG
(3-(5-Cyclobutyl-1,3-thiazol-2-yl)-5-(tetrahydro-2H...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2CCOCC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C27H29F3N4O3S/c1-16(21-12-32-26(33-13-21)27(28,29)30)34-24(35)19-9-20(25-31-14-23(38-25)18-3-2-4-18)11-22(10-19)37-15-17-5-7-36-8-6-17/h9-14,16-18H,2-8,15H2,1H3,(H,34,35)/t16-/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


()
BDBM319956
PNG
(3-(5-Cyclobutyl-1,3-thiazol-2-yl)-5-[(3S)-tetrahyd...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2CCOC2)cc(c1)-c1ncc(s1)C1CCC1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O3S/c1-15(20-10-31-25(32-11-20)26(27,28)29)33-23(34)18-7-19(24-30-12-22(37-24)17-3-2-4-17)9-21(8-18)36-14-16-5-6-35-13-16/h7-12,15-17H,2-6,13-14H2,1H3,(H,33,34)/t15-,16+/m1/s1
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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
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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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))
BDBM320229
PNG
(3-(5-methyl-1,3- thiazol-2-yl)-5- {[(3R)-5- oxomor...)
Show SMILES C[C@@H](NC(=O)c1cc(OC[C@H]2COCC(=O)N2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O4S/c1-12-6-27-21(36-12)15-3-14(4-18(5-15)35-10-17-9-34-11-19(32)31-17)20(33)30-13(2)16-7-28-22(29-8-16)23(24,25)26/h3-8,13,17H,9-11H2,1-2H3,(H,30,33)(H,31,32)/t13-,17-/m1/s1
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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
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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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))
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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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))
BDBM320247
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(2S)- morpholin-...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@@H]2CNCCO2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O3S/c1-3-19-12-29-23(36-19)16-8-15(9-17(10-16)35-13-18-11-28-6-7-34-18)22(33)30-14(2)20-4-5-21(32-31-20)24(25,26)27/h4-5,8-10,12,14,18,28H,3,6-7,11,13H2,1-2H3,(H,30,33)/t14-,18+/m1/s1
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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
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM320248
PNG
(3-(5-ethyl-1,3- thiazol-2-yl)-5- [(2R)- morpholin-...)
Show SMILES CCc1cnc(s1)-c1cc(OC[C@H]2CNCCO2)cc(c1)C(=O)N[C@H](C)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N5O3S/c1-3-19-12-29-23(36-19)16-8-15(9-17(10-16)35-13-18-11-28-6-7-34-18)22(33)30-14(2)20-4-5-21(32-31-20)24(25,26)27/h4-5,8-10,12,14,18,28H,3,6-7,11,13H2,1-2H3,(H,30,33)/t14-,18-/m1/s1
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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
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM320165
PNG
(3-[(3-methyltetrahydrofuran-3-yl)methoxy]-5-(5-met...)
Show SMILES C[C@@H](NC(=O)c1cc(OCC2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O3S/c1-14-9-28-21(35-14)17-6-16(7-19(8-17)34-13-23(3)4-5-33-12-23)20(32)31-15(2)18-10-29-22(30-11-18)24(25,26)27/h6-11,15H,4-5,12-13H2,1-3H3,(H,31,32)/t15-,23?/m1/s1
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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 2C9


(Homo sapiens (Human))
BDBM319852
PNG
(3-(5-Methyl-1,3-thiazol-2-yl)-5-[(3R)-tetrahydrofu...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O3S/c1-12-10-26-21(33-12)15-7-14(8-17(9-15)32-16-5-6-31-11-16)20(30)27-13(2)18-3-4-19(29-28-18)22(23,24)25/h3-4,7-10,13,16H,5-6,11H2,1-2H3,(H,27,30)/t13-,16-/m1/s1
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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


()
BDBM319965
PNG
(N-[1-(3-Chloro-5-fluoropyridin-2-yl)ethyl]-3-(5-me...)
Show SMILES CC(NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ncc(F)cc1Cl
Show InChI InChI=1S/C22H21ClFN3O3S/c1-12-9-26-22(31-12)15-5-14(6-18(7-15)30-17-3-4-29-11-17)21(28)27-13(2)20-19(23)8-16(24)10-25-20/h5-10,13,17H,3-4,11H2,1-2H3,(H,27,28)/t13?,17-/m0/s1
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UniChem
US Patent
n/an/a 2.05E+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))
BDBM319966
PNG
(N-[(6-Methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3...)
Show SMILES Cc1cnc(s1)-c1cc(O[C@H]2CCOC2)cc(c1)C(=O)NCc1ccc(C)nn1
Show InChI InChI=1S/C21H22N4O3S/c1-13-3-4-17(25-24-13)11-22-20(26)15-7-16(21-23-10-14(2)29-21)9-19(8-15)28-18-5-6-27-12-18/h3-4,7-10,18H,5-6,11-12H2,1-2H3,(H,22,26)/t18-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 177n/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


()
BDBM319971
PNG
(3-(5-Methyl-1,3-thiazol-2-yl)-5-(piperidin-4-yloxy...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CCNCC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O2S/c1-13-10-28-21(34-13)16-7-15(8-19(9-16)33-18-3-5-27-6-4-18)20(32)31-14(2)17-11-29-22(30-12-17)23(24,25)26/h7-12,14,18,27H,3-6H2,1-2H3,(H,31,32)/t14-/m1/s1
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n/an/a 559n/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))
BDBM319976
PNG
(3-[(1-Methylazetidin-3-yl)oxy]-5-(5-methyl-1,3-thi...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2CN(C)C2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N5O2S/c1-12-7-26-20(33-12)15-4-14(5-17(6-15)32-18-10-30(3)11-18)19(31)29-13(2)16-8-27-21(28-9-16)22(23,24)25/h4-9,13,18H,10-11H2,1-3H3,(H,29,31)/t13-/m1/s1
PDB

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UniChem
US Patent
n/an/a 84n/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))
BDBM319984
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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UniChem
US Patent
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


()
BDBM319985
PNG
(N-{(1R)-1-[2- (difluoromethyl) pyrimidin-5- yl]eth...)
Show SMILES C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)F
Show InChI InChI=1S/C21H20F2N4O3S/c1-11-6-26-21(31-11)14-3-13(4-16(5-14)30-17-9-29-10-17)20(28)27-12(2)15-7-24-19(18(22)23)25-8-15/h3-8,12,17-18H,9-10H2,1-2H3,(H,27,28)/t12-/m1/s1
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n/an/a 523n/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


()
BDBM319990
PNG
(3-(5-methyl-1,3- thiazol-2-yl)-5- [(3R)- tetrahydr...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O3S/c1-13-10-28-22(33-13)17-7-16(8-19(9-17)32-18-5-6-31-12-18)21(30)29-14(2)15-3-4-20(27-11-15)23(24,25)26/h3-4,7-11,14,18H,5-6,12H2,1-2H3,(H,29,30)/t14-,18-/m1/s1
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n/an/a 534n/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 2D6


(Homo sapiens (Human))
BDBM319852
PNG
(3-(5-Methyl-1,3-thiazol-2-yl)-5-[(3R)-tetrahydrofu...)
Show SMILES C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O3S/c1-12-10-26-21(33-12)15-7-14(8-17(9-15)32-16-5-6-31-11-16)20(30)27-13(2)18-3-4-19(29-28-18)22(23,24)25/h3-4,7-10,13,16H,5-6,11H2,1-2H3,(H,27,30)/t13-,16-/m1/s1
PDB

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UniChem
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n/an/a>2.00E+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
Cytochrome P450 2D6


(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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PC cid
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UniChem
US Patent
n/an/a>2.00E+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
Cytochrome P450 1A


(Homo sapiens (Human))
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
PDB

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UniChem
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n/an/a>2.00E+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
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