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Patent code US10208016

Compile Data Set for Download or QSAR
Found 23 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
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349633
PNG
(2-(4-Chlorophenyl)-2-(1-((3,5-dimethyl-1H-pyrazol-...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN4O2S/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/h3-6H,7-10H2,1-2H3,(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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349645
PNG
(2-(4-Chlorophenyl)-2-(1-((1,3,5-trimethyl-1H-pyraz...)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN4O2S/c1-13-19(14(2)23(3)22-13)27(25,26)24-10-8-16(9-11-24)18(12-21)15-4-6-17(20)7-5-15/h4-7H,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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349636
PNG
(2-(4-Chlorophenyl)-2-(1-((3,5-diethyl-1H-pyrazol-4...)
Show SMILES CCc1n[nH]c(CC)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN4O2S/c1-3-18-20(19(4-2)24-23-18)28(26,27)25-11-9-15(10-12-25)17(13-22)14-5-7-16(21)8-6-14/h5-8H,3-4,9-12H2,1-2H3,(H,23,24)
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349653
PNG
(3-((1-(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piper...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1cnc2ccccc2c1
Show InChI InChI=1S/C20H21FN4O2S/c1-13-20(14(2)24-23-13)28(26,27)25-9-7-15(8-10-25)19(21)17-11-16-5-3-4-6-18(16)22-12-17/h3-6,11-12H,7-10H2,1-2H3,(H,23,24)
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349639
PNG
(2-(1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piper...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N4O3S/c1-12-18(13(2)25-24-12)30(27,28)26-9-7-15(8-10-26)17(11-23)14-3-5-16(6-4-14)29-19(20,21)22/h3-6H,7-10H2,1-2H3,(H,24,25)
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349646
PNG
(4-((4-Chlorophenyl)fluoromethylene)-1-((3,5-dimeth...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClFN3O2S/c1-11-17(12(2)21-20-11)25(23,24)22-9-7-14(8-10-22)16(19)13-3-5-15(18)6-4-13/h3-6H,7-10H2,1-2H3,(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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349635
PNG
(2-(4-Chloro-2-fluorophenyl)-2-(1-((3,5-dimethyl-1H...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1F
Show InChI InChI=1S/C18H18ClFN4O2S/c1-11-18(12(2)23-22-11)27(25,26)24-7-5-13(6-8-24)16(10-21)15-4-3-14(19)9-17(15)20/h3-4,9H,5-8H2,1-2H3,(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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349650
PNG
(4-((4-Chloro-3-fluorophenyl)fluoromethylene)-1-((3...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C17H18ClF2N3O2S/c1-10-17(11(2)22-21-10)26(24,25)23-7-5-12(6-8-23)16(20)13-3-4-14(18)15(19)9-13/h3-4,9H,5-8H2,1-2H3,(H,21,22)
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349637
PNG
(2-(4-Chlorophenyl)-2-(1-((1,5-dimethyl-3-(trifluor...)
Show SMILES Cc1c(c(nn1C)C(F)(F)F)S(=O)(=O)N1CCC(CC1)=C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClF3N4O2S/c1-12-17(18(19(21,22)23)25-26(12)2)30(28,29)27-9-7-14(8-10-27)16(11-24)13-3-5-15(20)6-4-13/h3-6H,7-10H2,1-2H3
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349648
PNG
(4-((2,4-Dichlorophenyl)fluoromethylene)-1-((3,5-di...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H18Cl2FN3O2S/c1-10-17(11(2)22-21-10)26(24,25)23-7-5-12(6-8-23)16(20)14-4-3-13(18)9-15(14)19/h3-4,9H,5-8H2,1-2H3,(H,21,22)
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349651
PNG
(4-((4-Chloro-2-fluorophenyl)fluoromethylene)-1-((3...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1ccc(Cl)cc1F
Show InChI InChI=1S/C17H18ClF2N3O2S/c1-10-17(11(2)22-21-10)26(24,25)23-7-5-12(6-8-23)16(20)14-4-3-13(18)9-15(14)19/h3-4,9H,5-8H2,1-2H3,(H,21,22)
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349640
PNG
(2-(4-Chlorophenyl)-2-(1-((3,5-dimethyl-1H-pyrazol-...)
Show SMILES CC1CN(CC\C1=C(/C#N)c1ccc(Cl)cc1)S(=O)(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C19H21ClN4O2S/c1-12-11-24(27(25,26)19-13(2)22-23-14(19)3)9-8-17(12)18(10-21)15-4-6-16(20)7-5-15/h4-7,12H,8-9,11H2,1-3H3,(H,22,23)/b18-17-
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349649
PNG
(4-((3,4-Dichlorophenyl)fluoromethylene)-1-((3,5-di...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H18Cl2FN3O2S/c1-10-17(11(2)22-21-10)26(24,25)23-7-5-12(6-8-23)16(20)13-3-4-14(18)15(19)9-13/h3-4,9H,5-8H2,1-2H3,(H,21,22)
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349642
PNG
(4-(4-Chloro-2-fluorobenzylidene)-1-((1,3,5-trimeth...)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)=Cc1ccc(Cl)cc1F
Show InChI InChI=1S/C18H21ClFN3O2S/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/h4-5,10-11H,6-9H2,1-3H3
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349641
PNG
(4-(4-Chloro-2-fluorobenzylidene)-1-((3,5-dimethyl-...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=Cc1ccc(Cl)cc1F
Show InChI InChI=1S/C17H19ClFN3O2S/c1-11-17(12(2)21-20-11)25(23,24)22-7-5-13(6-8-22)9-14-3-4-15(18)10-16(14)19/h3-4,9-10H,5-8H2,1-2H3,(H,20,21)
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349644
PNG
(4-(4-Chlorobenzylidene)-1-((3,5-dimethyl-1H-pyrazo...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H20ClN3O2S/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/h3-6,11H,7-10H2,1-2H3,(H,19,20)
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349643
PNG
(4-(1-(4-Chlorophenypethylidene)-1-((3,5-dimethyl-1...)
Show SMILES CC(=C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H22ClN3O2S/c1-12(15-4-6-17(19)7-5-15)16-8-10-22(11-9-16)25(23,24)18-13(2)20-21-14(18)3/h4-7H,8-11H2,1-3H3,(H,20,21)
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349631
PNG
(4-(4-Chloro-3-fluorobenzyl)-1-((3-cyclopropyl-5-me...)
Show SMILES Cc1[nH]nc(C2CC2)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C19H23ClFN3O2S/c1-12-19(18(23-22-12)15-3-4-15)27(25,26)24-8-6-13(7-9-24)10-14-2-5-16(20)17(21)11-14/h2,5,11,13,15H,3-4,6-10H2,1H3,(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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349652
PNG
(4-((2,4-Difluorophenyl)fluoromethylene)-1-(3,5-dim...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1ccc(F)cc1F
Show InChI InChI=1S/C17H18F3N3O2S/c1-10-17(11(2)22-21-10)26(24,25)23-7-5-12(6-8-23)16(20)14-4-3-13(18)9-15(14)19/h3-4,9H,5-8H2,1-2H3,(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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349647
PNG
(4-((3-Chloro-4-fluorophenyl)fluoromethylene)-1-((3...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(F)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C17H18ClF2N3O2S/c1-10-17(11(2)22-21-10)26(24,25)23-7-5-12(6-8-23)16(20)13-3-4-15(19)14(18)9-13/h3-4,9H,5-8H2,1-2H3,(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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349632
PNG
(Methyl 2-(4-Chlorophenyl)-2-(1-((3,5-dimethyl-1H-p...)
Show SMILES COC(=O)C(=C1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H22ClN3O4S/c1-12-18(13(2)22-21-12)28(25,26)23-10-8-15(9-11-23)17(19(24)27-3)14-4-6-16(20)7-5-14/h4-7H,8-11H2,1-3H3,(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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349634
PNG
(2-(2,6-Difluorophenyl)-2-(1-((3,5-dimethyl-1H-pyra...)
Show SMILES Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1c(F)cccc1F
Show InChI InChI=1S/C18H18F2N4O2S/c1-11-18(12(2)23-22-11)27(25,26)24-8-6-13(7-9-24)14(10-21)17-15(19)4-3-5-16(17)20/h3-5H,6-9H2,1-2H3,(H,22,23)
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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 US10208016 (2019)

More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))		BDBM349638
PNG
(2-(2,6-Difluorophenyl)-2-(1-((1,3,5-trimethyl-1H-p...)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)=C(C#N)c1c(F)cccc1F
Show InChI InChI=1S/C19H20F2N4O2S/c1-12-19(13(2)24(3)23-12)28(26,27)25-9-7-14(8-10-25)15(11-22)18-16(20)5-4-6-17(18)21/h4-6H,7-10H2,1-3H3
Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.43E+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 US10208016 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%