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Patent code US10000468

Compile Data Set for Download or QSAR
Found 22 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
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM400608
PNG
(US10000468, Example 15 | US10000468, Example 16)
Show SMILES CC(C)Nc1nc(C(=O)N(C)C)c(nc1N1CCC(CC1)Oc1ccc(F)cc1F)C#N
Show InChI InChI=1S/C22H26F2N6O2/c1-13(2)26-20-21(27-17(12-25)19(28-20)22(31)29(3)4)30-9-7-15(8-10-30)32-18-6-5-14(23)11-16(18)24/h5-6,11,13,15H,7-10H2,1-4H3,(H,26,28)
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US Patent
n/an/an/an/a 3.69E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM381940
PNG
(5-(4-(4-chloro-2-fluorophenoxy)piperidin-1-yl)-3-c...)
Show SMILES CC(C)Nc1nc(C(=O)N(C)C)c(nc1N1CCC(CC1)Oc1ccc(Cl)cc1F)C#N
Show InChI InChI=1S/C22H26ClFN6O2/c1-13(2)26-20-21(27-17(12-25)19(28-20)22(31)29(3)4)30-9-7-15(8-10-30)32-18-6-5-14(23)11-16(18)24/h5-6,11,13,15H,7-10H2,1-4H3,(H,26,28)
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US Patent
n/an/an/an/a 4.93E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382113
PNG
((S)-6-(4-((2,4-difluorophenyl)fluoromethyl)piperid...)
Show SMILES CNC(=O)c1cnc(NC(C)C)c(n1)N1CCC(CC1)[C@H](F)c1ccc(F)cc1F
Show InChI InChI=1S/C21H26F3N5O/c1-12(2)27-19-20(28-17(11-26-19)21(30)25-3)29-8-6-13(7-9-29)18(24)15-5-4-14(22)10-16(15)23/h4-5,10-13,18H,6-9H2,1-3H3,(H,25,30)(H,26,27)/t18-/m0/s1
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US Patent
n/an/an/an/a 3.02E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382121
PNG
((S)-5-(4-((2,4-difluorophenyl)fluoromethyl)piperid...)
Show SMILES CC(C)Nc1nc(cnc1N1CCC(CC1)[C@H](F)c1ccc(F)cc1F)C#N
Show InChI InChI=1S/C20H22F3N5/c1-12(2)26-19-20(25-11-15(10-24)27-19)28-7-5-13(6-8-28)18(23)16-4-3-14(21)9-17(16)22/h3-4,9,11-13,18H,5-8H2,1-2H3,(H,26,27)/t18-/m0/s1
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US Patent
n/an/an/an/a 3.02E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382122
PNG
(US10000468, Example 31 | US10273225, Example 31)
Show SMILES CC(C)Nc1nc(cnc1N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F)C#N
Show InChI InChI=1S/C20H22F3N5/c1-12(2)26-19-20(25-11-15(10-24)27-19)28-7-5-13(6-8-28)18(23)16-4-3-14(21)9-17(16)22/h3-4,9,11-13,18H,5-8H2,1-2H3,(H,26,27)/t18-/m1/s1
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US Patent
n/an/an/an/a 1.80E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382125
PNG
(6-(4-(2,4-difluorobenzyl)piperazin-1-yl)-3-((2-(di...)
Show SMILES CC(C)Nc1nc(COCCN(C)C)c(nc1N1CCN(Cc2ccc(F)cc2F)CC1)C#N
Show InChI InChI=1S/C24H33F2N7O/c1-17(2)28-23-24(30-21(14-27)22(29-23)16-34-12-11-31(3)4)33-9-7-32(8-10-33)15-18-5-6-19(25)13-20(18)26/h5-6,13,17H,7-12,15-16H2,1-4H3,(H,28,29)
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n/an/an/an/a 6.25E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382112
PNG
((R)-6-(4-((2,4-difluorophenyl)fluoromethyl)piperid...)
Show SMILES CNC(=O)c1cnc(NC(C)C)c(n1)N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F
Show InChI InChI=1S/C21H26F3N5O/c1-12(2)27-19-20(28-17(11-26-19)21(30)25-3)29-8-6-13(7-9-29)18(24)15-5-4-14(22)10-16(15)23/h4-5,10-13,18H,6-9H2,1-3H3,(H,25,30)(H,26,27)/t18-/m1/s1
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n/an/an/an/a 5.03E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382117
PNG
(US10000468, Example 26 | US10273225, Example 26)
Show SMILES F[C@H](C1CCN(CC1)c1nc(cnc1NC1CC1)C#N)c1ccc(F)cc1F
Show InChI InChI=1S/C20H20F3N5/c21-13-1-4-16(17(22)9-13)18(23)12-5-7-28(8-6-12)20-19(26-14-2-3-14)25-11-15(10-24)27-20/h1,4,9,11-12,14,18H,2-3,5-8H2,(H,25,26)/t18-/m1/s1
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US Patent
n/an/an/an/a 7.23E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382118
PNG
(US10000468, Example 27 | US10273225, Example 27)
Show SMILES CC(C)Nc1ncc(nc1N1CCC(CC1)Oc1ccc(F)cc1F)C#N
Show InChI InChI=1S/C19H21F2N5O/c1-12(2)24-18-19(25-14(10-22)11-23-18)26-7-5-15(6-8-26)27-17-4-3-13(20)9-16(17)21/h3-4,9,11-12,15H,5-8H2,1-2H3,(H,23,24)
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n/an/an/an/a 1.61E+5n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382111
PNG
(US10000468, Example 19 | US10273225, Example 19)
Show SMILES CC(C)Nc1ncc(nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)N(C)C
Show InChI InChI=1S/C21H27F2N5O2/c1-13(2)25-19-20(26-17(12-24-19)21(29)27(3)4)28-9-7-15(8-10-28)30-18-6-5-14(22)11-16(18)23/h5-6,11-13,15H,7-10H2,1-4H3,(H,24,25)
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US Patent
n/an/an/an/a 5.05E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382115
PNG
(US10000468, Example 24 | US10273225, Example 24)
Show SMILES CC(C)Nc1ncc(nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)N1CC(F)C1
Show InChI InChI=1S/C22H26F3N5O2/c1-13(2)27-20-21(28-18(10-26-20)22(31)30-11-15(24)12-30)29-7-5-16(6-8-29)32-19-4-3-14(23)9-17(19)25/h3-4,9-10,13,15-16H,5-8,11-12H2,1-2H3,(H,26,27)
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US Patent
n/an/an/an/a 4.82E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382116
PNG
(5-(4-(2,4-difluorophenoxy)piperidin-1-yl)-6-(isopr...)
Show SMILES CC(C)Nc1nc(cnc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)N(C)C
Show InChI InChI=1S/C21H27F2N5O2/c1-13(2)25-19-20(24-12-17(26-19)21(29)27(3)4)28-9-7-15(8-10-28)30-18-6-5-14(22)11-16(18)23/h5-6,11-13,15H,7-10H2,1-4H3,(H,25,26)
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US Patent
n/an/an/an/a 2.42E+5n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382120
PNG
(5-(4-(4-chloro-2-fluorophenoxy)piperidin-1-yl)-6-(...)
Show SMILES Fc1cc(Cl)ccc1OC1CCN(CC1)c1ncc(nc1NC1CC1)C#N
Show InChI InChI=1S/C19H19ClFN5O/c20-12-1-4-17(16(21)9-12)27-15-5-7-26(8-6-15)19-18(24-13-2-3-13)25-14(10-22)11-23-19/h1,4,9,11,13,15H,2-3,5-8H2,(H,24,25)
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n/an/an/an/a 1.84E+5n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM381926
PNG
(5-(4-(4-chloro-2-fluorophenoxy)piperidin-1-yl)-6-(...)
Show SMILES CC(C)Nc1nc(C#N)c(nc1N1CCC(CC1)Oc1ccc(Cl)cc1F)C#N
Show InChI InChI=1S/C20H20ClFN6O/c1-12(2)25-19-20(27-17(11-24)16(10-23)26-19)28-7-5-14(6-8-28)29-18-4-3-13(21)9-15(18)22/h3-4,9,12,14H,5-8H2,1-2H3,(H,25,26)
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US Patent
n/an/an/an/a 3.27E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382109
PNG
(5-(4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl)-3-c...)
Show SMILES CC(C)Nc1nc(C(=O)N(C)C)c(nc1N1CCC(CC1)C(=O)c1cc(Cl)ccc1F)C#N
Show InChI InChI=1S/C23H26ClFN6O2/c1-13(2)27-21-22(28-18(12-26)19(29-21)23(33)30(3)4)31-9-7-14(8-10-31)20(32)16-11-15(24)5-6-17(16)25/h5-6,11,13-14H,7-10H2,1-4H3,(H,27,29)
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US Patent
n/an/an/an/a 2.30E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382114
PNG
(6-(4-(2,4-difluorophenoxy)piperidin-1-yl)-N-(2-(di...)
Show SMILES CC(C)Nc1ncc(nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)N(C)CCN(C)C
Show InChI InChI=1S/C24H34F2N6O2/c1-16(2)28-22-23(29-20(15-27-22)24(33)31(5)13-12-30(3)4)32-10-8-18(9-11-32)34-21-7-6-17(25)14-19(21)26/h6-7,14-16,18H,8-13H2,1-5H3,(H,27,28)
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US Patent
n/an/an/an/a 1.72E+5n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM381944
PNG
(US10000468, Example 14 | US10273225, Example 14)
Show SMILES CN(C)C(=O)c1nc(NC2CC2)c(nc1C#N)N1CCN(Cc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C22H25F2N7O/c1-29(2)22(32)19-18(12-25)27-21(20(28-19)26-16-5-6-16)31-9-7-30(8-10-31)13-14-3-4-15(23)11-17(14)24/h3-4,11,16H,5-10,13H2,1-2H3,(H,26,28)
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US Patent
n/an/an/an/a 3.87E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM400608
PNG
(US10000468, Example 15 | US10000468, Example 16)
Show SMILES CC(C)Nc1nc(C(=O)N(C)C)c(nc1N1CCC(CC1)Oc1ccc(F)cc1F)C#N
Show InChI InChI=1S/C22H26F2N6O2/c1-13(2)26-20-21(27-17(12-25)19(28-20)22(31)29(3)4)30-9-7-15(8-10-30)32-18-6-5-14(23)11-16(18)24/h5-6,11,13,15H,7-10H2,1-4H3,(H,26,28)
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n/an/an/an/a 1.23E+5n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382119
PNG
(5-(4-(2,4-difluorophenoxy)piperidin-1-yl)-6-(isopr...)
Show SMILES CC(C)Nc1nc(cnc1N1CCC(CC1)Oc1ccc(F)cc1F)C#N
Show InChI InChI=1S/C19H21F2N5O/c1-12(2)24-18-19(23-11-14(10-22)25-18)26-7-5-15(6-8-26)27-17-4-3-13(20)9-16(17)21/h3-4,9,11-12,15H,5-8H2,1-2H3,(H,24,25)
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US Patent
n/an/an/an/a 7.70E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382123
PNG
(6-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(isopr...)
Show SMILES CC(C)Nc1nc(N2CCOCC2)c(nc1N1CCC(CC1)Oc1ccc(F)cc1F)C#N
Show InChI InChI=1S/C23H28F2N6O2/c1-15(2)27-21-23(28-19(14-26)22(29-21)31-9-11-32-12-10-31)30-7-5-17(6-8-30)33-20-4-3-16(24)13-18(20)25/h3-4,13,15,17H,5-12H2,1-2H3,(H,27,29)
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US Patent
n/an/an/an/a 2.35E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382124
PNG
(6-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(isopr...)
Show SMILES COCc1nc(NC(C)C)c(nc1C#N)N1CCC(CC1)Oc1ccc(F)cc1F
Show InChI InChI=1S/C21H25F2N5O2/c1-13(2)25-20-21(27-17(11-24)18(26-20)12-29-3)28-8-6-15(7-9-28)30-19-5-4-14(22)10-16(19)23/h4-5,10,13,15H,6-9,12H2,1-3H3,(H,25,26)
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US Patent
n/an/an/an/a 1.37E+4n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM382110
PNG
(US10000468, Example 18 | US10273225, Example 18)
Show SMILES CC(C)Nc1nc(C(=O)N(C)CCN(C)C)c(nc1N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F)C#N
Show InChI InChI=1S/C26H34F3N7O/c1-16(2)31-24-25(32-21(15-30)23(33-24)26(37)35(5)13-12-34(3)4)36-10-8-17(9-11-36)22(29)19-7-6-18(27)14-20(19)28/h6-7,14,16-17,22H,8-13H2,1-5H3,(H,31,33)/t22-/m1/s1
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.80E+3n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)

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Ligand-Target Pair
* indicates data uncertainty>20%