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Compile Data Set for Download or QSAR

Found 145 hits Enz. Inhib. hit(s) with Target = 'Prokineticin Receptor 1 (PKR1)'   
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 (PKR1)


(Homo sapiens (human))
BDBM26335
PNG
(3-[2-({5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphen...)
Show SMILES CCc1ccc(Cn2c(=O)nc(NCCN=C(N)N)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C23H29N7O3/c1-3-16-4-6-17(7-5-16)15-30-22(31)28-21(27-13-12-26-20(24)25)29(23(30)32)14-18-8-10-19(33-2)11-9-18/h4-11H,3,12-15H2,1-2H3,(H4,24,25,26)(H,27,28,31)
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Article
PubMed
22 -45.5n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


J Med Chem 51: 7635-9 (2008)


Article DOI: 10.1021/jm800854e
BindingDB Entry DOI: 10.7270/Q23J3B9C
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM26336
PNG
(6-[(2-aminoethyl)amino]-3-[(4-ethylphenyl)methyl]-...)
Show SMILES CCc1ccc(Cn2c(=O)nc(NCCN)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C22H27N5O3/c1-3-16-4-6-17(7-5-16)15-27-21(28)25-20(24-13-12-23)26(22(27)29)14-18-8-10-19(30-2)11-9-18/h4-11H,3,12-15,23H2,1-2H3,(H,24,25,28)
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PubMed
440 -37.7n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


J Med Chem 51: 7635-9 (2008)


Article DOI: 10.1021/jm800854e
BindingDB Entry DOI: 10.7270/Q23J3B9C
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM26337
PNG
(6-{[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]ami...)
Show SMILES CCc1ccc(Cn2c(=O)nc(NCCN=C3NCCN3)n(Cc3ccc(OC)cc3)c2=O)cc1
Show InChI InChI=1S/C25H31N7O3/c1-3-18-4-6-19(7-5-18)17-32-24(33)30-23(29-15-14-28-22-26-12-13-27-22)31(25(32)34)16-20-8-10-21(35-2)11-9-20/h4-11H,3,12-17H2,1-2H3,(H2,26,27,28)(H,29,30,33)
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PubMed
4.72E+3 -31.6n/an/an/an/an/a7.437



University of Ferrara



Assay Description
Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of th...


J Med Chem 51: 7635-9 (2008)


Article DOI: 10.1021/jm800854e
BindingDB Entry DOI: 10.7270/Q23J3B9C
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250522
PNG
(US9475795, 1)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H21Cl2N3O3S/c1-11-17(12(2)21(3)20-11)26(23,24)22-8-6-13(7-9-22)25-14-4-5-15(18)16(19)10-14/h4-5,10,13H,6-9H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250524
PNG
(US9475795, 3)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H22F3N3O4S/c1-12-17(13(2)23(3)22-12)29(25,26)24-10-8-15(9-11-24)27-14-4-6-16(7-5-14)28-18(19,20)21/h4-7,15H,8-11H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250526
PNG
(US9475795, 5)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C17H22ClN3O3S/c1-12-17(13(2)20(3)19-12)25(22,23)21-10-8-16(9-11-21)24-15-6-4-14(18)5-7-15/h4-7,16H,8-11H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250528
PNG
(US9475795, 7)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C18H22N4O3S/c1-13-18(14(2)21(3)20-13)26(23,24)22-10-8-17(9-11-22)25-16-6-4-15(12-19)5-7-16/h4-7,17H,8-11H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250530
PNG
(US9475795, 9)
Show SMILES CCn1nc(C)c(c1C)S(=O)(=O)N1CCC(CC1)Oc1ccc(C)cc1
Show InChI InChI=1S/C19H27N3O3S/c1-5-22-16(4)19(15(3)20-22)26(23,24)21-12-10-18(11-13-21)25-17-8-6-14(2)7-9-17/h6-9,18H,5,10-13H2,1-4H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250532
PNG
(US9475795, 11)
Show SMILES Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(C)cc1
Show InChI InChI=1S/C17H22ClN3O3S/c1-12-4-6-14(7-5-12)24-15-8-10-21(11-9-15)25(22,23)16-13(2)19-20(3)17(16)18/h4-7,15H,8-11H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250534
PNG
(US9475795, 13)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H21Cl2N3O3S/c1-11-17(12(2)21(3)20-11)26(23,24)22-8-6-14(7-9-22)25-16-5-4-13(18)10-15(16)19/h4-5,10,14H,6-9H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250536
PNG
(US9475795, 15)
Show SMILES Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C16H19Cl2N3O3S/c1-11-15(16(18)20(2)19-11)25(22,23)21-9-7-14(8-10-21)24-13-5-3-12(17)4-6-13/h3-6,14H,7-10H2,1-2H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250538
PNG
(US9475795, 17)
Show SMILES COc1cccc(OC2CCN(CC2)S(=O)(=O)c2c(C)nn(C)c2C)c1
Show InChI InChI=1S/C18H25N3O4S/c1-13-18(14(2)20(3)19-13)26(22,23)21-10-8-15(9-11-21)25-17-7-5-6-16(12-17)24-4/h5-7,12,15H,8-11H2,1-4H3
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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 (PKR1)


(Homo sapiens (human))
BDBM250540
PNG
(US9475795, 19)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccccc1
Show InChI InChI=1S/C17H23N3O3S/c1-13-17(14(2)19(3)18-13)24(21,22)20-11-9-16(10-12-20)23-15-7-5-4-6-8-15/h4-8,16H,9-12H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250542
PNG
(US9475795, 21)
Show SMILES CC1CN(CCC1Oc1ccc(Cl)cc1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C18H24ClN3O3S/c1-12-11-22(26(23,24)18-13(2)20-21(4)14(18)3)10-9-17(12)25-16-7-5-15(19)6-8-16/h5-8,12,17H,9-11H2,1-4H3
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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 (PKR1)


(Homo sapiens (human))
BDBM250544
PNG
(US9475795, 23)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C21H25N3O3S/c1-15-21(16(2)23(3)22-15)28(25,26)24-12-10-19(11-13-24)27-20-9-8-17-6-4-5-7-18(17)14-20/h4-9,14,19H,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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250546
PNG
(US9475795, 25)
Show SMILES Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H18Cl3N3O3S/c1-10-15(16(19)21(2)20-10)26(23,24)22-7-5-12(6-8-22)25-14-4-3-11(17)9-13(14)18/h3-4,9,12H,5-8H2,1-2H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250548
PNG
(US9475795, 27)
Show SMILES Cc1nn(C)cc1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H19Cl2N3O3S/c1-11-16(10-20(2)19-11)25(22,23)21-7-5-13(6-8-21)24-15-4-3-12(17)9-14(15)18/h3-4,9-10,13H,5-8H2,1-2H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250550
PNG
(US9475795, 29)
Show SMILES Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H19Cl2F2N3O3S/c1-10-16(11(2)24(22-10)17(20)21)28(25,26)23-7-5-13(6-8-23)27-15-4-3-12(18)9-14(15)19/h3-4,9,13,17H,5-8H2,1-2H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250552
PNG
(US9475795, 31)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1C#N
Show InChI InChI=1S/C18H21ClN4O3S/c1-12-18(13(2)22(3)21-12)27(24,25)23-8-6-16(7-9-23)26-17-5-4-15(19)10-14(17)11-20/h4-5,10,16H,6-9H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250554
PNG
(US9475795, 33)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C20H23N3O3S/c1-14-20(15(2)22-21-14)27(24,25)23-11-9-18(10-12-23)26-19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13,18H,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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250556
PNG
(US9475795, 35)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1F
Show InChI InChI=1S/C16H19ClFN3O3S/c1-10-16(11(2)20-19-10)25(22,23)21-7-5-13(6-8-21)24-15-4-3-12(17)9-14(15)18/h3-4,9,13H,5-8H2,1-2H3,(H,19,20)
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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 (PKR1)


(Homo sapiens (human))
BDBM250558
PNG
(US9475795, 37)
Show SMILES Cc1cnn(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C16H20ClN3O3S/c1-12-11-18-19(2)16(12)24(21,22)20-9-7-15(8-10-20)23-14-5-3-13(17)4-6-14/h3-6,11,15H,7-10H2,1-2H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250560
PNG
(US9475795, 39)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C18H21ClF3N3O3S/c1-11-17(12(2)24(3)23-11)29(26,27)25-8-6-14(7-9-25)28-16-5-4-13(19)10-15(16)18(20,21)22/h4-5,10,14H,6-9H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250562
PNG
(US9475795, 41)
Show SMILES COc1ccc(OC2CCN(CC2)S(=O)(=O)c2c(C)n[nH]c2C)cc1F
Show InChI InChI=1S/C17H22FN3O4S/c1-11-17(12(2)20-19-11)26(22,23)21-8-6-13(7-9-21)25-14-4-5-16(24-3)15(18)10-14/h4-5,10,13H,6-9H2,1-3H3,(H,19,20)
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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 (PKR1)


(Homo sapiens (human))
BDBM250564
PNG
(US9475795, 43)
Show SMILES COc1ccc(OC2CCN(CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1F
Show InChI InChI=1S/C18H24FN3O4S/c1-12-18(13(2)21(3)20-12)27(23,24)22-9-7-14(8-10-22)26-15-5-6-17(25-4)16(19)11-15/h5-6,11,14H,7-10H2,1-4H3
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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 (PKR1)


(Homo sapiens (human))
BDBM250566
PNG
(US9475795, 45)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C17H21ClFN3O3S/c1-11-17(12(2)21(3)20-11)26(23,24)22-8-6-13(7-9-22)25-14-4-5-15(18)16(19)10-14/h4-5,10,13H,6-9H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250568
PNG
(US9475795, 47)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C16H19ClFN3O3S/c1-10-16(11(2)20-19-10)25(22,23)21-7-5-12(6-8-21)24-13-3-4-14(17)15(18)9-13/h3-4,9,12H,5-8H2,1-2H3,(H,19,20)
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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 (PKR1)


(Homo sapiens (human))
BDBM250570
PNG
(US9475795, 49)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H22ClN3O3S/c1-12-18(13(2)21(3)20-12)26(24,25)22-10-8-15(9-11-22)17(23)14-4-6-16(19)7-5-14/h4-7,15H,8-11H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250572
PNG
(US9475795, 51)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H23ClN4O2S/c1-12-17(13(2)21(3)20-12)25(23,24)22-10-8-16(9-11-22)19-15-6-4-14(18)5-7-15/h4-7,16,19H,8-11H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250574
PNG
(US9475795, 53)
Show SMILES CN(C1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H25ClN4O2S/c1-13-18(14(2)22(4)20-13)26(24,25)23-11-9-17(10-12-23)21(3)16-7-5-15(19)6-8-16/h5-8,17H,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 (PKR1)


(Homo sapiens (human))
BDBM250576
PNG
(US9475795, 55)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C18H24ClN3O2S/c1-13-18(14(2)21(3)20-13)25(23,24)22-10-8-16(9-11-22)12-15-4-6-17(19)7-5-15/h4-7,16H,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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250578
PNG
(US9475795, 57)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C18H24ClN3O3S/c1-13-17(14(2)21(3)20-13)26(24,25)22-10-8-18(23,9-11-22)12-15-4-6-16(19)7-5-15/h4-7,23H,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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250580
PNG
(US9475795, 59)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C18H23Cl2N3O3S/c1-12-17(13(2)22(3)21-12)27(25,26)23-8-6-18(24,7-9-23)11-14-4-5-15(19)10-16(14)20/h4-5,10,24H,6-9,11H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250582
PNG
(US9475795, 61)
Show SMILES CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C21H28ClN3O4S/c1-5-29-20(26)21(14-17-6-8-18(22)9-7-17)10-12-25(13-11-21)30(27,28)19-15(2)23-24(4)16(19)3/h6-9H,5,10-14H2,1-4H3
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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 (PKR1)


(Homo sapiens (human))
BDBM250584
PNG
(US9475795, 63)
Show SMILES CCOC(=O)C1(Cc2ccc(Br)cc2)CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
Show InChI InChI=1S/C21H28BrN3O4S/c1-5-29-20(26)21(14-17-6-8-18(22)9-7-17)10-12-25(13-11-21)30(27,28)19-15(2)23-24(4)16(19)3/h6-9H,5,10-14H2,1-4H3
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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 (PKR1)


(Homo sapiens (human))
BDBM250586
PNG
(US9475795, 65)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2Cl)(CC1)C#N
Show InChI InChI=1S/C18H20Cl2N4O2S/c1-12-17(13(2)23-22-12)27(25,26)24-7-5-18(11-21,6-8-24)10-14-3-4-15(19)9-16(14)20/h3-4,9H,5-8,10H2,1-2H3,(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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250588
PNG
(US9475795, 67)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C17H22ClN3O2S/c1-12-17(13(2)20-19-12)24(22,23)21-9-7-15(8-10-21)11-14-3-5-16(18)6-4-14/h3-6,15H,7-11H2,1-2H3,(H,19,20)
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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 (PKR1)


(Homo sapiens (human))
BDBM250590
PNG
(US9475795, 69)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C18H23Cl2N3O3S/c1-12-17(13(2)22(3)21-12)27(25,26)23-8-6-18(24,7-9-23)11-14-4-5-15(19)16(20)10-14/h4-5,10,24H,6-9,11H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250592
PNG
(US9475795, 71)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C17H21ClFN3O2S/c1-11-17(12(2)21-20-11)25(23,24)22-7-5-13(6-8-22)9-14-3-4-15(18)16(19)10-14/h3-4,10,13H,5-9H2,1-2H3,(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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250594
PNG
(US9475795, 73)
Show SMILES COc1cc(Cl)ccc1OC1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C17H22ClN3O4S/c1-11-17(12(2)20-19-11)26(22,23)21-8-6-14(7-9-21)25-15-5-4-13(18)10-16(15)24-3/h4-5,10,14H,6-9H2,1-3H3,(H,19,20)
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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 (PKR1)


(Homo sapiens (human))
BDBM250596
PNG
(US9475795, 75)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)cc2F)CC1
Show InChI InChI=1S/C17H21ClFN3O3S/c1-11-16(12(2)21-20-11)26(24,25)22-7-5-17(23,6-8-22)10-13-3-4-14(18)9-15(13)19/h3-4,9,23H,5-8,10H2,1-2H3,(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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250598
PNG
(US9475795, 77)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ncc(Cl)cc1F
Show InChI InChI=1S/C16H20ClFN4O3S/c1-10-15(11(2)21(3)20-10)26(23,24)22-6-4-13(5-7-22)25-16-14(18)8-12(17)9-19-16/h8-9,13H,4-7H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250600
PNG
(US9475795, 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 (PKR1)


(Homo sapiens (human))
BDBM250602
PNG
(US9475795, 81)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(F)(Cc2ccc(Cl)cc2F)CC1
Show InChI InChI=1S/C18H22ClF2N3O2S/c1-12-17(13(2)23(3)22-12)27(25,26)24-8-6-18(21,7-9-24)11-14-4-5-15(19)10-16(14)20/h4-5,10H,6-9,11H2,1-3H3
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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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250604
PNG
(US9475795, 83)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2F)CC1
Show InChI InChI=1S/C18H23ClFN3O2S/c1-12-18(13(2)22(3)21-12)26(24,25)23-8-6-14(7-9-23)10-15-4-5-16(19)11-17(15)20/h4-5,11,14H,6-10H2,1-3H3
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UniChem
n/an/a 730n/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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250606
PNG
(US9475795, 85)
Show SMILES COc1cc(Cl)cnc1OC1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C16H21ClN4O4S/c1-10-15(11(2)20-19-10)26(22,23)21-6-4-13(5-7-21)25-16-14(24-3)8-12(17)9-18-16/h8-9,13H,4-7H2,1-3H3,(H,19,20)
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n/an/a 1.23E+3n/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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250608
PNG
(US9475795, 87)
Show SMILES COc1cc(Cl)ccc1CC1(CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)OC
Show InChI InChI=1S/C20H28ClN3O4S/c1-14-19(15(2)23(3)22-14)29(25,26)24-10-8-20(28-5,9-11-24)13-16-6-7-17(21)12-18(16)27-4/h6-7,12H,8-11,13H2,1-5H3
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n/an/a 5.88E+3n/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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250610
PNG
(US9475795, 89)
Show SMILES COc1cc(Cl)ccc1CC1(O)CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C18H24ClN3O4S/c1-12-17(13(2)21-20-12)27(24,25)22-8-6-18(23,7-9-22)11-14-4-5-15(19)10-16(14)26-3/h4-5,10,23H,6-9,11H2,1-3H3,(H,20,21)
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n/an/a 410n/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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250612
PNG
(US9475795, 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/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 US9475795 (2016)


BindingDB Entry DOI: 10.7270/Q20Z727W
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (human))
BDBM250614
PNG
(US9475795, 93)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClN4O2S/c1-12-18(13(2)22-21-12)26(24,25)23-9-7-15(8-10-23)17(11-20)14-3-5-16(19)6-4-14/h3-6,15,17H,7-10H2,1-2H3,(H,21,22)
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UniProtKB/SwissProt

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n/an/a 610n/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 US9475795 (2016)


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