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Compile Data Set for Download or QSAR

Found 902 hits with Last Name = 'goldby' and Initial = 'a'   
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
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347585
PNG
(5-{[3-(4-Chloro-2-methylphenyl)piperidin-1-yl]carb...)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C
Show InChI InChI=1S/C18H21ClN4O/c1-12-8-15(19)5-6-16(12)13-4-3-7-23(11-13)18(24)14-9-17(20-2)22-21-10-14/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,20,22)
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n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347538
PNG
(4-{[3-(4-Chloro-2-methylphenyl)piperidin-1-yl]carb...)
Show SMILES CN(C)c1cc(ccn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C
Show InChI InChI=1S/C20H24ClN3O/c1-14-11-17(21)6-7-18(14)16-5-4-10-24(13-16)20(25)15-8-9-22-19(12-15)23(2)3/h6-9,11-12,16H,4-5,10,13H2,1-3H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347545
PNG
(4-{[3-(4-Chloro-2-methylphenyl)piperidin-1-yl]carb...)
Show SMILES CNc1cc(ccn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C
Show InChI InChI=1S/C19H22ClN3O/c1-13-10-16(20)5-6-17(13)15-4-3-9-23(12-15)19(24)14-7-8-22-18(11-14)21-2/h5-8,10-11,15H,3-4,9,12H2,1-2H3,(H,21,22)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347577
PNG
(4-{[3-(4-Methoxy-2-methylphenyl)piperidin-1-yl]car...)
Show SMILES CNc1cc(ccn1)C(=O)N1CCCC(C1)c1ccc(OC)cc1C
Show InChI InChI=1S/C20H25N3O2/c1-14-11-17(25-3)6-7-18(14)16-5-4-10-23(13-16)20(24)15-8-9-22-19(12-15)21-2/h6-9,11-12,16H,4-5,10,13H2,1-3H3,(H,21,22)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250600
PNG
(US10167273, Example 79 | US10544126, Example 79 | ...)
Show SMILES COc1cc(Cl)ccc1CC1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C19H26ClN3O3S/c1-13-19(14(2)22(3)21-13)27(24,25)23-9-7-15(8-10-23)11-16-5-6-17(20)12-18(16)26-4/h5-6,12,15H,7-11H2,1-4H3
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10544126 (2020)


BindingDB Entry DOI: 10.7270/Q2MP55NK
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250600
PNG
(US10167273, Example 79 | US10544126, Example 79 | ...)
Show SMILES COc1cc(Cl)ccc1CC1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C19H26ClN3O3S/c1-13-19(14(2)22(3)21-13)27(24,25)23-9-7-15(8-10-23)11-16-5-6-17(20)12-18(16)26-4/h5-6,12,15H,7-11H2,1-4H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10167273 (2019)


BindingDB Entry DOI: 10.7270/Q24F1ST0
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347578
PNG
(4-({3-[4-Methoxy-2-(trifluoromethyl)phenyl]piperid...)
Show SMILES CNc1cc(ccn1)C(=O)N1CCCC(C1)c1ccc(OC)cc1C(F)(F)F
Show InChI InChI=1S/C20H22F3N3O2/c1-24-18-10-13(7-8-25-18)19(27)26-9-3-4-14(12-26)16-6-5-15(28-2)11-17(16)20(21,22)23/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,24,25)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250600
PNG
(US10167273, Example 79 | US10544126, Example 79 | ...)
Show SMILES COc1cc(Cl)ccc1CC1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C19H26ClN3O3S/c1-13-19(14(2)22(3)21-13)27(24,25)23-9-7-15(8-10-23)11-16-5-6-17(20)12-18(16)26-4/h5-6,12,15H,7-11H2,1-4H3
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TBA

Assay Description
The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CV4NKN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250600
PNG
(US10167273, Example 79 | US10544126, Example 79 | ...)
Show SMILES COc1cc(Cl)ccc1CC1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C19H26ClN3O3S/c1-13-19(14(2)22(3)21-13)27(24,25)23-9-7-15(8-10-23)11-16-5-6-17(20)12-18(16)26-4/h5-6,12,15H,7-11H2,1-4H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347571
PNG
(4-({3-[4-Chloro-2-(trifluoromethyl)phenyl]piperidi...)
Show SMILES CNc1cc(ccn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N3O/c1-24-17-9-12(6-7-25-17)18(27)26-8-2-3-13(11-26)15-5-4-14(20)10-16(15)19(21,22)23/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,24,25)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250620
PNG
(US10167273, Example 99 | US10544126, Example 99 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H26ClN3O3S/c1-13-19(14(2)22(3)21-13)27(24,25)23-11-9-16(10-12-23)18(26-4)15-5-7-17(20)8-6-15/h5-8,16,18H,9-12H2,1-4H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10167273 (2019)


BindingDB Entry DOI: 10.7270/Q24F1ST0
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250620
PNG
(US10167273, Example 99 | US10544126, Example 99 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H26ClN3O3S/c1-13-19(14(2)22(3)21-13)27(24,25)23-11-9-16(10-12-23)18(26-4)15-5-7-17(20)8-6-15/h5-8,16,18H,9-12H2,1-4H3
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TBA

Assay Description
The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CV4NKN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250620
PNG
(US10167273, Example 99 | US10544126, Example 99 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H26ClN3O3S/c1-13-19(14(2)22(3)21-13)27(24,25)23-11-9-16(10-12-23)18(26-4)15-5-7-17(20)8-6-15/h5-8,16,18H,9-12H2,1-4H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250620
PNG
(US10167273, Example 99 | US10544126, Example 99 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H26ClN3O3S/c1-13-19(14(2)22(3)21-13)27(24,25)23-11-9-16(10-12-23)18(26-4)15-5-7-17(20)8-6-15/h5-8,16,18H,9-12H2,1-4H3
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10544126 (2020)


BindingDB Entry DOI: 10.7270/Q2MP55NK
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250599
PNG
(US10167273, Example 78 | US10544126, Example 78 | ...)
Show SMILES COc1cc(Cl)ccc1CC1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C18H24ClN3O3S/c1-12-18(13(2)21-20-12)26(23,24)22-8-6-14(7-9-22)10-15-4-5-16(19)11-17(15)25-3/h4-5,11,14H,6-10H2,1-3H3,(H,20,21)
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TBA

Assay Description
The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CV4NKN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250599
PNG
(US10167273, Example 78 | US10544126, Example 78 | ...)
Show SMILES COc1cc(Cl)ccc1CC1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C18H24ClN3O3S/c1-12-18(13(2)21-20-12)26(23,24)22-8-6-14(7-9-22)10-15-4-5-16(19)11-17(15)25-3/h4-5,11,14H,6-10H2,1-3H3,(H,20,21)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10167273 (2019)


BindingDB Entry DOI: 10.7270/Q24F1ST0
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347585
PNG
(5-{[3-(4-Chloro-2-methylphenyl)piperidin-1-yl]carb...)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C
Show InChI InChI=1S/C18H21ClN4O/c1-12-8-15(19)5-6-16(12)13-4-3-7-23(11-13)18(24)14-9-17(20-2)22-21-10-14/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,20,22)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250599
PNG
(US10167273, Example 78 | US10544126, Example 78 | ...)
Show SMILES COc1cc(Cl)ccc1CC1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C18H24ClN3O3S/c1-12-18(13(2)21-20-12)26(23,24)22-8-6-14(7-9-22)10-15-4-5-16(19)11-17(15)25-3/h4-5,11,14H,6-10H2,1-3H3,(H,20,21)
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10544126 (2020)


BindingDB Entry DOI: 10.7270/Q2MP55NK
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347579
PNG
(4-{[3-(4-Chloro-2-ethoxyphenyl)piperidin-1-yl]carb...)
Show SMILES CCOc1cc(Cl)ccc1C1CCCN(C1)C(=O)c1ccnc(NC)c1
Show InChI InChI=1S/C20H24ClN3O2/c1-3-26-18-12-16(21)6-7-17(18)15-5-4-10-24(13-15)20(25)14-8-9-23-19(11-14)22-2/h6-9,11-12,15H,3-5,10,13H2,1-2H3,(H,22,23)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347518
PNG
(3-Chloro-5-{[3-(4-chloro-2-methylphenyl)piperidin-...)
Show SMILES CCc1cc(ccn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C
Show InChI InChI=1S/C20H23ClN2O/c1-3-18-12-15(8-9-22-18)20(24)23-10-4-5-16(13-23)19-7-6-17(21)11-14(19)2/h6-9,11-12,16H,3-5,10,13H2,1-2H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250599
PNG
(US10167273, Example 78 | US10544126, Example 78 | ...)
Show SMILES COc1cc(Cl)ccc1CC1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C18H24ClN3O3S/c1-12-18(13(2)21-20-12)26(23,24)22-8-6-14(7-9-22)10-15-4-5-16(19)11-17(15)25-3/h4-5,11,14H,6-10H2,1-3H3,(H,20,21)
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n/an/a 70n/an/an/an/a7.437



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250617
PNG
(US10167273, Example 98 | US10544126, Example 96 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
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n/an/a 80n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10544126 (2020)


BindingDB Entry DOI: 10.7270/Q2MP55NK
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250617
PNG
(US10167273, Example 98 | US10544126, Example 96 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
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n/an/a 80n/an/an/an/a7.437



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347591
PNG
(5-({3-[4-Chloro-2-(trifluoromethyl)phenyl]piperidi...)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C18H18ClF3N4O/c1-23-16-7-12(9-24-25-16)17(27)26-6-2-3-11(10-26)14-5-4-13(19)8-15(14)18(20,21)22/h4-5,7-9,11H,2-3,6,10H2,1H3,(H,23,25)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250617
PNG
(US10167273, Example 98 | US10544126, Example 96 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
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n/an/a 80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10167273 (2019)


BindingDB Entry DOI: 10.7270/Q24F1ST0
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250617
PNG
(US10167273, Example 98 | US10544126, Example 96 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
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TBA

Assay Description
The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CV4NKN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347599
PNG
(5-{[3-(4-Chloro-2-ethoxyphenyl)piperidin-1-yl]carb...)
Show SMILES CCOc1cc(Cl)ccc1C1CCCN(C1)C(=O)c1cnnc(c1)N(C)C
Show InChI InChI=1S/C20H25ClN4O2/c1-4-27-18-11-16(21)7-8-17(18)14-6-5-9-25(13-14)20(26)15-10-19(24(2)3)23-22-12-15/h7-8,10-12,14H,4-6,9,13H2,1-3H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347547
PNG
(2-(Azetidin-1-yl)-4-{[3-(4-chloro-2-methylphenyl)p...)
Show SMILES Cc1cc(Cl)ccc1C1CCCN(C1)C(=O)c1ccnc(c1)N1CCC1
Show InChI InChI=1S/C21H24ClN3O/c1-15-12-18(22)5-6-19(15)17-4-2-9-25(14-17)21(26)16-7-8-23-20(13-16)24-10-3-11-24/h5-8,12-13,17H,2-4,9-11,14H2,1H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347521
PNG
(3-Chloro-5-{[3-(4-methoxy-2-methylphenyl)piperidin...)
Show SMILES CN(C)c1cc(ccn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C20H21ClF3N3O/c1-26(2)18-10-13(7-8-25-18)19(28)27-9-3-4-14(12-27)16-6-5-15(21)11-17(16)20(22,23)24/h5-8,10-11,14H,3-4,9,12H2,1-2H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347576
PNG
(4-({3-[4-Methoxy-2-(trifluoromethyl)phenyl]piperid...)
Show SMILES COc1ccc(C2CCCN(C2)C(=O)c2ccnc(c2)N(C)C)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N3O2/c1-26(2)19-11-14(8-9-25-19)20(28)27-10-4-5-15(13-27)17-7-6-16(29-3)12-18(17)21(22,23)24/h6-9,11-12,15H,4-5,10,13H2,1-3H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347575
PNG
(4-{[3-(4-Chloro-2-ethoxyphenyl)piperidin-1-yl]carb...)
Show SMILES CCOc1cc(Cl)ccc1C1CCCN(C1)C(=O)c1ccnc(c1)N(C)C
Show InChI InChI=1S/C21H26ClN3O2/c1-4-27-19-13-17(22)7-8-18(19)16-6-5-11-25(14-16)21(26)15-9-10-23-20(12-15)24(2)3/h7-10,12-13,16H,4-6,11,14H2,1-3H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347612
PNG
(3-[4-Chloro-2-(trifluoromethyl)phenyl]-1-[(1-methy...)
Show SMILES Cn1cc(cn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C17H17ClF3N3O/c1-23-9-12(8-22-23)16(25)24-6-2-3-11(10-24)14-5-4-13(18)7-15(14)17(19,20)21/h4-5,7-9,11H,2-3,6,10H2,1H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347607
PNG
(3-(4-Chloro-2-methylphenyl)-1-[(1-ethyl-1H-pyrazol...)
Show SMILES CCn1cc(cn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C
Show InChI InChI=1S/C18H22ClN3O/c1-3-22-12-15(10-20-22)18(23)21-8-4-5-14(11-21)17-7-6-16(19)9-13(17)2/h6-7,9-10,12,14H,3-5,8,11H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347590
PNG
(5-({3-[4-Chloro-2-(trifluoromethyl)phenyl]piperidi...)
Show SMILES CN(C)c1cc(cnn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C19H20ClF3N4O/c1-26(2)17-8-13(10-24-25-17)18(28)27-7-3-4-12(11-27)15-6-5-14(20)9-16(15)19(21,22)23/h5-6,8-10,12H,3-4,7,11H2,1-2H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347584
PNG
(5-{[3-(4-Chloro-2-methylphenyl)piperidin-1-yl]carb...)
Show SMILES CN(C)c1cc(cnn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1C
Show InChI InChI=1S/C19H23ClN4O/c1-13-9-16(20)6-7-17(13)14-5-4-8-24(12-14)19(25)15-10-18(23(2)3)22-21-11-15/h6-7,9-11,14H,4-5,8,12H2,1-3H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347541
PNG
(4-{[3-(4-Chlorophenyl)piperidin-1-yl]carbonyl}-N-m...)
Show SMILES CNc1cc(ccn1)C(=O)N1CCCC(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClN3O/c1-20-17-11-14(8-9-21-17)18(23)22-10-2-3-15(12-22)13-4-6-16(19)7-5-13/h4-9,11,15H,2-3,10,12H2,1H3,(H,20,21)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347596
PNG
(5-({3-[4-Methoxy-2-(trifluoromethyl)phenyl]piperid...)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)c1ccc(OC)cc1C(F)(F)F
Show InChI InChI=1S/C19H21F3N4O2/c1-23-17-8-13(10-24-25-17)18(27)26-7-3-4-12(11-26)15-6-5-14(28-2)9-16(15)19(20,21)22/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,23,25)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347594
PNG
(5-{[3-(4-Methoxy-2-methylphenyl)piperidin-1-yl]car...)
Show SMILES CNc1cc(cnn1)C(=O)N1CCCC(C1)c1ccc(OC)cc1C
Show InChI InChI=1S/C19H24N4O2/c1-13-9-16(25-3)6-7-17(13)14-5-4-8-23(12-14)19(24)15-10-18(20-2)22-21-11-15/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,20,22)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250612
PNG
(US10167273, Example 91 | US10544126, Example 91 | ...)
Show SMILES COc1cc(Cl)ccc1CC1(F)CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C19H25ClFN3O3S/c1-13-18(14(2)23(3)22-13)28(25,26)24-9-7-19(21,8-10-24)12-15-5-6-16(20)11-17(15)27-4/h5-6,11H,7-10,12H2,1-4H3
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TBA

Assay Description
The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CV4NKN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250612
PNG
(US10167273, Example 91 | US10544126, Example 91 | ...)
Show SMILES COc1cc(Cl)ccc1CC1(F)CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C19H25ClFN3O3S/c1-13-18(14(2)23(3)22-13)28(25,26)24-9-7-19(21,8-10-24)12-15-5-6-16(20)11-17(15)27-4/h5-6,11H,7-10,12H2,1-4H3
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10544126 (2020)


BindingDB Entry DOI: 10.7270/Q2MP55NK
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250612
PNG
(US10167273, Example 91 | US10544126, Example 91 | ...)
Show SMILES COc1cc(Cl)ccc1CC1(F)CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C19H25ClFN3O3S/c1-13-18(14(2)23(3)22-13)28(25,26)24-9-7-19(21,8-10-24)12-15-5-6-16(20)11-17(15)27-4/h5-6,11H,7-10,12H2,1-4H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10167273 (2019)


BindingDB Entry DOI: 10.7270/Q24F1ST0
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250612
PNG
(US10167273, Example 91 | US10544126, Example 91 | ...)
Show SMILES COc1cc(Cl)ccc1CC1(F)CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C19H25ClFN3O3S/c1-13-18(14(2)23(3)22-13)28(25,26)24-9-7-19(21,8-10-24)12-15-5-6-16(20)11-17(15)27-4/h5-6,11H,7-10,12H2,1-4H3
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n/an/a 140n/an/an/an/a7.437



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347610
PNG
(4-{[3-(4-Chloro-2-methylphenyl)piperidin-1-yl]carb...)
Show SMILES Cc1cc(Cl)ccc1C1CCCN(C1)C(=O)c1cnn(C)c1N
Show InChI InChI=1S/C17H21ClN4O/c1-11-8-13(18)5-6-14(11)12-4-3-7-22(10-12)17(23)15-9-20-21(2)16(15)19/h5-6,8-9,12H,3-4,7,10,19H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250617
PNG
(US10167273, Example 98 | US10544126, Example 96 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
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TBA

Assay Description
The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CV4NKN
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250617
PNG
(US10167273, Example 98 | US10544126, Example 96 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM347595
PNG
(5-{[3-(4-Methoxy-2-methylphenyl)piperidin-1-yl]car...)
Show SMILES COc1ccc(C2CCCN(C2)C(=O)c2cnnc(c2)N(C)C)c(C)c1
Show InChI InChI=1S/C20H26N4O2/c1-14-10-17(26-4)7-8-18(14)15-6-5-9-24(13-15)20(25)16-11-19(23(2)3)22-21-12-16/h7-8,10-12,15H,5-6,9,13H2,1-4H3
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US9790201 (2017)


BindingDB Entry DOI: 10.7270/Q2377BVZ
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250617
PNG
(US10167273, Example 98 | US10544126, Example 96 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10167273 (2019)


BindingDB Entry DOI: 10.7270/Q24F1ST0
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250617
PNG
(US10167273, Example 98 | US10544126, Example 96 | ...)
Show SMILES COC(C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
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TAKEDA PHARMACEUTICAL COMPANY LIMITED

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10544126 (2020)


BindingDB Entry DOI: 10.7270/Q2MP55NK
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250611
PNG
(US10167273, Example 90 | US10544126, Example 90 | ...)
Show SMILES COc1cc(Cl)ccc1CC1(F)CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C18H23ClFN3O3S/c1-12-17(13(2)22-21-12)27(24,25)23-8-6-18(20,7-9-23)11-14-4-5-15(19)10-16(14)26-3/h4-5,10H,6-9,11H2,1-3H3,(H,21,22)
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n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10167273 (2019)


BindingDB Entry DOI: 10.7270/Q24F1ST0
More data for this
Ligand-Target Pair
Prokineticin receptor 1


(Homo sapiens (Human))
BDBM250595
PNG
(US10167273, Example 74 | US10544126, Example 74 | ...)
Show SMILES COc1cc(Cl)ccc1OC1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C18H24ClN3O4S/c1-12-18(13(2)21(3)20-12)27(23,24)22-9-7-15(8-10-22)26-16-6-5-14(19)11-17(16)25-4/h5-6,11,15H,7-10H2,1-4H3
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n/an/a 170n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediat...


US Patent US10167273 (2019)


BindingDB Entry DOI: 10.7270/Q24F1ST0
More data for this
Ligand-Target Pair
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