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Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 648   
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))		BDBM191005
PNG
(US10077266, Example 118 | US9181249, 118 | US97083...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)[C@H](F)c1ccc(F)cc1F)C=O |r|
Show InChI InChI=1S/C23H28F3N5O/c1-14(2)27-22-23(29-19-7-8-30(13-32)12-20(19)28-22)31-9-5-15(6-10-31)21(26)17-4-3-16(24)11-18(17)25/h3-4,11,13-15,21H,5-10,12H2,1-2H3,(H,27,28)/t21-/m0/s1
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n/an/a 1.14E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190957
PNG
(US10077266, Example 70 | US9181249, 70 | US9708313...)
Show SMILES CC(C)Nc1nc2CCN(C)Cc2nc1N1CCC(CC1)C(F)c1ccc(F)cc1F
Show InChI InChI=1S/C23H30F3N5/c1-14(2)27-22-23(29-20-13-30(3)9-8-19(20)28-22)31-10-6-15(7-11-31)21(26)17-5-4-16(24)12-18(17)25/h4-5,12,14-15,21H,6-11,13H2,1-3H3,(H,27,28)
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n/an/a 1.71E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191006
PNG
(US10077266, Example 119 | US9181249, 119 | US97083...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F)C=O |r|
Show InChI InChI=1S/C23H28F3N5O/c1-14(2)27-22-23(29-19-7-8-30(13-32)12-20(19)28-22)31-9-5-15(6-10-31)21(26)17-4-3-16(24)11-18(17)25/h3-4,11,13-15,21H,5-10,12H2,1-2H3,(H,27,28)/t21-/m1/s1
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n/an/a 2.36E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190936
PNG
(US10077266, Example 141 | US9181249, 141 | US91812...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O
Show InChI InChI=1S/C23H29F2N5O2/c1-14(2)26-22-23(28-19-8-11-30(15(3)31)13-20(19)27-22)29-9-6-17(7-10-29)32-21-5-4-16(24)12-18(21)25/h4-5,12,14,17H,6-11,13H2,1-3H3,(H,26,27)
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n/an/a 2.46E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191022
PNG
(US10077266, Example 134 | US9181249, 134 | US97083...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCN(Cc2ccc(F)cc2F)CC1)C(C)=O
Show InChI InChI=1S/C23H30F2N6O/c1-15(2)26-22-23(28-20-6-7-31(16(3)32)14-21(20)27-22)30-10-8-29(9-11-30)13-17-4-5-18(24)12-19(17)25/h4-5,12,15H,6-11,13-14H2,1-3H3,(H,26,27)
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n/an/a 2.70E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191004
PNG
(US10077266, Example 117 | US9181249, 117 | US97083...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)[C@H](F)c1ccc(F)cc1F)C(C)=O |r|
Show InChI InChI=1S/C24H30F3N5O/c1-14(2)28-23-24(30-20-8-11-32(15(3)33)13-21(20)29-23)31-9-6-16(7-10-31)22(27)18-5-4-17(25)12-19(18)26/h4-5,12,14,16,22H,6-11,13H2,1-3H3,(H,28,29)/t22-/m0/s1
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n/an/a 2.74E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191019
PNG
(US10077266, Example 131 | US9181249, 131 | US97083...)
Show SMILES CCC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC(C)C)nc2C1
Show InChI InChI=1S/C24H31F2N5O2/c1-4-22(32)31-12-9-19-20(14-31)28-23(27-15(2)3)24(29-19)30-10-7-17(8-11-30)33-21-6-5-16(25)13-18(21)26/h5-6,13,15,17H,4,7-12,14H2,1-3H3,(H,27,28)
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n/an/a 2.76E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191024
PNG
(US10077266, Example 136 | US9181249, 136 | US97083...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCN(Cc2ccc(F)cc2F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C22H30F2N6O2S/c1-15(2)25-21-22(27-19-6-7-30(33(3,31)32)14-20(19)26-21)29-10-8-28(9-11-29)13-16-4-5-17(23)12-18(16)24/h4-5,12,15H,6-11,13-14H2,1-3H3,(H,25,26)
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n/an/a 2.79E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191031
PNG
(US10077266, Example 143 | US9181249, 143 | US97083...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCN(Cc2ccc(F)cc2F)CC1)C(=O)C(C)C
Show InChI InChI=1S/C25H34F2N6O/c1-16(2)25(34)33-8-7-21-22(15-33)29-23(28-17(3)4)24(30-21)32-11-9-31(10-12-32)14-18-5-6-19(26)13-20(18)27/h5-6,13,16-17H,7-12,14-15H2,1-4H3,(H,28,29)
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n/an/a 2.90E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190962
PNG
(US10077266, Example 75 | US9181249, 75 | US9708313...)
Show SMILES CC(C)Nc1nc2CN(C)CCc2nc1N1CCC(CC1)C(F)c1ccc(F)cc1F
Show InChI InChI=1S/C23H30F3N5/c1-14(2)27-22-23(29-19-8-9-30(3)13-20(19)28-22)31-10-6-15(7-11-31)21(26)17-5-4-16(24)12-18(17)25/h4-5,12,14-15,21H,6-11,13H2,1-3H3,(H,27,28)
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n/an/a 3.03E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191025
PNG
(US10077266, Example 137 | US9181249, 137 | US97083...)
Show SMILES CCC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC(C)C)nc2C1
Show InChI InChI=1S/C24H32F2N6O/c1-4-22(33)32-8-7-20-21(15-32)28-23(27-16(2)3)24(29-20)31-11-9-30(10-12-31)14-17-5-6-18(25)13-19(17)26/h5-6,13,16H,4,7-12,14-15H2,1-3H3,(H,27,28)
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n/an/a 3.09E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190936
PNG
(US10077266, Example 141 | US9181249, 141 | US91812...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O
Show InChI InChI=1S/C23H29F2N5O2/c1-14(2)26-22-23(28-19-8-11-30(15(3)31)13-20(19)27-22)29-9-6-17(7-10-29)32-21-5-4-16(24)12-18(21)25/h4-5,12,14,17H,6-11,13H2,1-3H3,(H,26,27)
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n/an/a 3.37E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191039
PNG
(US10077266, Example 151 | US9181249, 151 | US97083...)
Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CC(F)(F)C3)nc2C1
Show InChI InChI=1S/C24H27F4N5O2/c1-14(34)33-9-6-19-20(13-33)30-22(29-16-11-24(27,28)12-16)23(31-19)32-7-4-17(5-8-32)35-21-3-2-15(25)10-18(21)26/h2-3,10,16-17H,4-9,11-13H2,1H3,(H,29,30)
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n/an/a 3.59E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM261953
PNG
((R)-1-(2-(4-((2,4-difluorophenyl)fluoromethyl)pipe...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F)C(C)=O |r|
Show InChI InChI=1S/C24H30F3N5O/c1-14(2)28-23-24(30-20-8-11-32(15(3)33)13-21(20)29-23)31-9-6-16(7-10-31)22(27)18-5-4-17(25)12-19(18)26/h4-5,12,14,16,22H,6-11,13H2,1-3H3,(H,28,29)/t22-/m1/s1
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n/an/a 3.78E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191038
PNG
(US10077266, Example 150 | US9181249, 150 | US97083...)
Show SMILES CCC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@H]3CCOC3)nc2C1 |r|
Show InChI InChI=1S/C25H31F2N5O3/c1-2-23(33)32-11-7-20-21(14-32)29-24(28-17-8-12-34-15-17)25(30-20)31-9-5-18(6-10-31)35-22-4-3-16(26)13-19(22)27/h3-4,13,17-18H,2,5-12,14-15H2,1H3,(H,28,29)/t17-/m0/s1
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n/an/a 3.92E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191011
PNG
(US10077266, Example 124 | US9181249, 124 | US97083...)
Show SMILES CC(C)Nc1nc2CCN(Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C=O
Show InChI InChI=1S/C22H27F2N5O2/c1-14(2)25-21-22(27-19-12-28(13-30)8-7-18(19)26-21)29-9-5-16(6-10-29)31-20-4-3-15(23)11-17(20)24/h3-4,11,13-14,16H,5-10,12H2,1-2H3,(H,25,26)
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n/an/a 4.32E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191023
PNG
(US10077266, Example 135 | US9181249, 135 | US97083...)
Show SMILES CC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(NC3CCC3)nc2C1
Show InChI InChI=1S/C24H30F2N6O/c1-16(33)32-8-7-21-22(15-32)28-23(27-19-3-2-4-19)24(29-21)31-11-9-30(10-12-31)14-17-5-6-18(25)13-20(17)26/h5-6,13,19H,2-4,7-12,14-15H2,1H3,(H,27,28)
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n/an/a 4.37E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191040
PNG
(US10077266, Example 152 | US9181249, 152 | US97083...)
Show SMILES CS(=O)(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CCC3)nc2C1
Show InChI InChI=1S/C23H29F2N5O3S/c1-34(31,32)30-12-9-19-20(14-30)27-22(26-16-3-2-4-16)23(28-19)29-10-7-17(8-11-29)33-21-6-5-15(24)13-18(21)25/h5-6,13,16-17H,2-4,7-12,14H2,1H3,(H,26,27)
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n/an/a 4.93E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190947
PNG
(US10077266, Example 59 | US9181249, 59 | US9708313...)
Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NCC(F)F)nc2C1
Show InChI InChI=1S/C22H25F4N5O2/c1-13(32)31-9-6-17-18(12-31)28-21(27-11-20(25)26)22(29-17)30-7-4-15(5-8-30)33-19-3-2-14(23)10-16(19)24/h2-3,10,15,20H,4-9,11-12H2,1H3,(H,27,28)
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n/an/a 4.97E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191015
PNG
(US10077266, Example 128 | US9181249, 128 | US97083...)
Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CCC3)nc2C1
Show InChI InChI=1S/C24H29F2N5O2/c1-15(32)31-12-9-20-21(14-31)28-23(27-17-3-2-4-17)24(29-20)30-10-7-18(8-11-30)33-22-6-5-16(25)13-19(22)26/h5-6,13,17-18H,2-4,7-12,14H2,1H3,(H,27,28)
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n/an/a 5.50E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191037
PNG
(US10077266, Example 149 | US10406157, Compound A |...)
Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@H]3CCOC3)nc2C1 |r|
Show InChI InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m0/s1
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n/an/a 5.87E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191043
PNG
(US10077266, Example 155 | US9181249, 155 | US97083...)
Show SMILES CCC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(N[C@H]3CCOC3)nc2C1 |r|
Show InChI InChI=1S/C25H32F2N6O2/c1-2-23(34)33-7-5-21-22(15-33)29-24(28-19-6-12-35-16-19)25(30-21)32-10-8-31(9-11-32)14-17-3-4-18(26)13-20(17)27/h3-4,13,19H,2,5-12,14-16H2,1H3,(H,28,29)/t19-/m0/s1
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n/an/a 5.91E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190942
PNG
(US10077266, Example 54 | US9181249, 54 | US9708313...)
Show SMILES CC(C)Nc1nc2C(C)N(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C23H31F2N5O3S/c1-14(2)26-22-23(27-19-9-12-30(34(4,31)32)15(3)21(19)28-22)29-10-7-17(8-11-29)33-20-6-5-16(24)13-18(20)25/h5-6,13-15,17H,7-12H2,1-4H3,(H,26,28)
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n/an/a 5.93E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190968
PNG
(US10077266, Example 81 | US9181249, 81 | US9708313...)
Show SMILES CC(C)Nc1nc2CCN(C)Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F
Show InChI InChI=1S/C22H29F2N5O/c1-14(2)25-21-22(27-19-13-28(3)9-8-18(19)26-21)29-10-6-16(7-11-29)30-20-5-4-15(23)12-17(20)24/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,25,26)
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n/an/a 5.95E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191032
PNG
(US10077266, Example 144 | US9181249, 144 | US97083...)
Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@@H]3C[C@H](O)C3)nc2C1 |r,wU:26.27,28.30,(9.34,-.07,;8,-.84,;8,-2.38,;6.67,-.07,;6.67,1.47,;5.33,2.24,;4,1.47,;2.67,2.24,;1.33,1.47,;,2.24,;,3.78,;-1.33,4.55,;-2.67,3.78,;-2.67,2.24,;-1.33,1.47,;-4,4.55,;-5.33,3.78,;-5.33,2.24,;-6.67,1.47,;-8,2.24,;-9.34,1.47,;-8,3.78,;-6.67,4.55,;-6.67,6.09,;1.33,-.07,;,-.84,;,-2.38,;-1.09,-3.47,;,-4.55,;,-6.09,;1.09,-3.47,;2.67,-.84,;4,-.07,;5.33,-.84,)|
Show InChI InChI=1S/C24H29F2N5O3/c1-14(32)31-9-6-20-21(13-31)28-23(27-16-11-17(33)12-16)24(29-20)30-7-4-18(5-8-30)34-22-3-2-15(25)10-19(22)26/h2-3,10,16-18,33H,4-9,11-13H2,1H3,(H,27,28)/t16-,17+
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n/an/a 6.15E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190892
PNG
(US10077266, Example 3 | US9181249, 3 | US9708313, ...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C22H29F2N5O3S/c1-14(2)25-21-22(27-18-8-11-29(33(3,30)31)13-19(18)26-21)28-9-6-16(7-10-28)32-20-5-4-15(23)12-17(20)24/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,25,26)
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n/an/a 6.18E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191017
PNG
(US10077266, Example 129 | US9181249, 129 | US97083...)
Show SMILES CC[C@H](C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O |r|
Show InChI InChI=1S/C24H31F2N5O2/c1-4-15(2)27-23-24(29-20-9-12-31(16(3)32)14-21(20)28-23)30-10-7-18(8-11-30)33-22-6-5-17(25)13-19(22)26/h5-6,13,15,18H,4,7-12,14H2,1-3H3,(H,27,28)/t15-/m0/s1
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n/an/a 6.20E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190933
PNG
(US10077266, Example 44 | US9181249, 44)
Show SMILES COc1ccc(OC2CCN(CC2)c2nc3CN(CCc3nc2NC(C)C)C(C)=O)c(F)c1
Show InChI InChI=1S/C24H32FN5O3/c1-15(2)26-23-24(28-21-14-30(16(3)31)12-9-20(21)27-23)29-10-7-17(8-11-29)33-22-6-5-18(32-4)13-19(22)25/h5-6,13,15,17H,7-12,14H2,1-4H3,(H,26,27)
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n/an/a 6.25E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191041
PNG
(US10077266, Example 153 | US9181249, 153 | US97083...)
Show SMILES CC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(N[C@@H]3CCOC3)nc2C1 |r|
Show InChI InChI=1S/C24H30F2N6O2/c1-16(33)32-6-4-21-22(14-32)28-23(27-19-5-11-34-15-19)24(29-21)31-9-7-30(8-10-31)13-17-2-3-18(25)12-20(17)26/h2-3,12,19H,4-11,13-15H2,1H3,(H,27,28)/t19-/m1/s1
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n/an/a 6.32E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190950
PNG
(US10077266, Example 62 | US9181249, 62 | US9708313...)
Show SMILES CC(C)Nc1nc2CCN(CCF)Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F
Show InChI InChI=1S/C23H30F3N5O/c1-15(2)27-22-23(29-20-14-30(12-8-24)9-7-19(20)28-22)31-10-5-17(6-11-31)32-21-4-3-16(25)13-18(21)26/h3-4,13,15,17H,5-12,14H2,1-2H3,(H,27,28)
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n/an/a 6.92E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190891
PNG
(US10077266, Example 2 | US9181249, 2 | US9708313, ...)
Show SMILES COCC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC(C)C)nc2C1
Show InChI InChI=1S/C24H31F2N5O3/c1-15(2)27-23-24(29-19-8-11-31(13-20(19)28-23)22(32)14-33-3)30-9-6-17(7-10-30)34-21-5-4-16(25)12-18(21)26/h4-5,12,15,17H,6-11,13-14H2,1-3H3,(H,27,28)
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n/an/a 7.15E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190940
PNG
(US10077266, Example 52 | US9181249, 52 | US9708313...)
Show SMILES CC(C)Nc1nc2C(C)N(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O
Show InChI InChI=1S/C24H31F2N5O2/c1-14(2)27-23-24(28-20-9-12-31(16(4)32)15(3)22(20)29-23)30-10-7-18(8-11-30)33-21-6-5-17(25)13-19(21)26/h5-6,13-15,18H,7-12H2,1-4H3,(H,27,29)
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n/an/a 7.32E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190969
PNG
(US10077266, Example 156 | US9181249, 156 | US91812...)
Show SMILES CC(C)Nc1nc2CCN(Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O
Show InChI InChI=1S/C23H29F2N5O2/c1-14(2)26-22-23(28-20-13-30(15(3)31)11-8-19(20)27-22)29-9-6-17(7-10-29)32-21-5-4-16(24)12-18(21)25/h4-5,12,14,17H,6-11,13H2,1-3H3,(H,26,27)
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n/an/a 7.37E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190934
PNG
(US10077266, Example 45 | US9181249, 45 | US9708313...)
Show SMILES COc1ccc(OC2CCN(CC2)c2nc3CCN(Cc3nc2NC(C)C)C(C)=O)c(F)c1
Show InChI InChI=1S/C24H32FN5O3/c1-15(2)26-23-24(28-20-9-12-30(16(3)31)14-21(20)27-23)29-10-7-17(8-11-29)33-22-6-5-18(32-4)13-19(22)25/h5-6,13,15,17H,7-12,14H2,1-4H3,(H,26,27)
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n/an/a 7.41E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191021
PNG
(US10077266, Example 133 | US9181249, 133 | US97083...)
Show SMILES CC(C)Nc1nc2CN(CCF)CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F
Show InChI InChI=1S/C23H30F3N5O/c1-15(2)27-22-23(29-19-7-9-30(12-8-24)14-20(19)28-22)31-10-5-17(6-11-31)32-21-4-3-16(25)13-18(21)26/h3-4,13,15,17H,5-12,14H2,1-2H3,(H,27,28)
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n/an/a 7.48E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191036
PNG
(US10077266, Example 148 | US9181249, 148 | US97083...)
Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@H]3C[C@H](O)C3)nc2C1 |r,wU:26.27,wD:28.30,(9.34,-.07,;8,-.84,;8,-2.38,;6.67,-.07,;6.67,1.47,;5.33,2.24,;4,1.47,;2.67,2.24,;1.33,1.47,;,2.24,;,3.78,;-1.33,4.55,;-2.67,3.78,;-2.67,2.24,;-1.33,1.47,;-4,4.55,;-5.33,3.78,;-5.33,2.24,;-6.67,1.47,;-8,2.24,;-9.34,1.47,;-8,3.78,;-6.67,4.55,;-6.67,6.09,;1.33,-.07,;,-.84,;,-2.38,;1.09,-3.47,;,-4.55,;,-6.09,;-1.09,-3.47,;2.67,-.84,;4,-.07,;5.33,-.84,)|
Show InChI InChI=1S/C24H29F2N5O3/c1-14(32)31-9-6-20-21(13-31)28-23(27-16-11-17(33)12-16)24(29-20)30-7-4-18(5-8-30)34-22-3-2-15(25)10-19(22)26/h2-3,10,16-18,33H,4-9,11-13H2,1H3,(H,27,28)/t16-,17-
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n/an/a 7.80E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190911
PNG
(US10077266, Example 22 | US9181249, 22 | US9708313...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)[C@@H]1CCCN1C |r|
Show InChI InChI=1S/C27H36F2N6O2/c1-17(2)30-25-26(34-12-8-19(9-13-34)37-24-7-6-18(28)15-20(24)29)32-21-10-14-35(16-22(21)31-25)27(36)23-5-4-11-33(23)3/h6-7,15,17,19,23H,4-5,8-14,16H2,1-3H3,(H,30,31)/t23-/m0/s1
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n/an/a 7.81E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190938
PNG
(US10077266, Example 50 | US9181249, 50 | US9708313...)
Show SMILES COCC(=O)N1CCc2nc(NCC(F)F)c(nc2C1)N1CCC(CC1)Oc1ccc(F)cc1F
Show InChI InChI=1S/C23H27F4N5O3/c1-34-13-21(33)32-9-6-17-18(12-32)30-23(22(29-17)28-11-20(26)27)31-7-4-15(5-8-31)35-19-3-2-14(24)10-16(19)25/h2-3,10,15,20H,4-9,11-13H2,1H3,(H,28,29)
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n/an/a 7.95E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190971
PNG
(US10077266, Example 84 | US9181249, 84 | US9708313...)
Show SMILES CC(C)Nc1nc2CN(C)CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F
Show InChI InChI=1S/C22H29F2N5O/c1-14(2)25-21-22(27-18-8-9-28(3)13-19(18)26-21)29-10-6-16(7-11-29)30-20-5-4-15(23)12-17(20)24/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,25,26)
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n/an/a 9.01E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190945
PNG
(US10077266, Example 57 | US9181249, 57 | US9708313...)
Show SMILES CC1N(CCc2nc(NCC(F)F)c(nc12)N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)N(C)C
Show InChI InChI=1S/C24H30F4N6O2/c1-14-21-18(8-11-34(14)24(35)32(2)3)30-22(29-13-20(27)28)23(31-21)33-9-6-16(7-10-33)36-19-5-4-15(25)12-17(19)26/h4-5,12,14,16,20H,6-11,13H2,1-3H3,(H,29,30)
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n/an/a 9.35E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190941
PNG
(US10077266, Example 53 | US9181249, 53 | US9708313...)
Show SMILES CC(C)Nc1nc2C(C)N(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)C(F)F
Show InChI InChI=1S/C24H29F4N5O2/c1-13(2)29-22-23(30-18-8-11-33(24(34)21(27)28)14(3)20(18)31-22)32-9-6-16(7-10-32)35-19-5-4-15(25)12-17(19)26/h4-5,12-14,16,21H,6-11H2,1-3H3,(H,29,31)
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n/an/a 9.50E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190900
PNG
(US10077266, Example 11 | US9181249, 11 | US9708313...)
Show SMILES CC(C)Nc1nc2CCN(Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C22H29F2N5O3S/c1-14(2)25-21-22(27-19-13-29(33(3,30)31)11-8-18(19)26-21)28-9-6-16(7-10-28)32-20-5-4-15(23)12-17(20)24/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,25,26)
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n/an/a 9.56E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191042
PNG
(US10077266, Example 154 | US9181249, 154 | US97083...)
Show SMILES CC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(N[C@H]3CCOC3)nc2C1 |r|
Show InChI InChI=1S/C24H30F2N6O2/c1-16(33)32-6-4-21-22(14-32)28-23(27-19-5-11-34-15-19)24(29-21)31-9-7-30(8-10-31)13-17-2-3-18(25)12-20(17)26/h2-3,12,19H,4-11,13-15H2,1H3,(H,27,28)/t19-/m0/s1
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n/an/a 9.78E+4n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191013
PNG
(US10077266, Example 126 | US9181249, 126 | US97083...)
Show SMILES C[C@@H](CCO)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O |r|
Show InChI InChI=1S/C24H31F2N5O3/c1-15(8-12-32)27-23-24(29-20-7-11-31(16(2)33)14-21(20)28-23)30-9-5-18(6-10-30)34-22-4-3-17(25)13-19(22)26/h3-4,13,15,18,32H,5-12,14H2,1-2H3,(H,27,28)/t15-/m0/s1
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n/an/a 1.07E+5n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190943
PNG
(US10077266, Example 55 | US9181249, 55 | US9708313...)
Show SMILES CC(C)Nc1nc2C(C)N(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)N(C)C
Show InChI InChI=1S/C25H34F2N6O2/c1-15(2)28-23-24(29-20-10-13-33(25(34)31(4)5)16(3)22(20)30-23)32-11-8-18(9-12-32)35-21-7-6-17(26)14-19(21)27/h6-7,14-16,18H,8-13H2,1-5H3,(H,28,30)
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n/an/a 1.10E+5n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190985
PNG
(US10077266, Example 98 | US9181249, 98 | US9708313...)
Show SMILES FC(F)CNc1nc2CCN(Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)C(F)F
Show InChI InChI=1S/C22H23F6N5O2/c23-12-1-2-17(14(24)9-12)35-13-3-6-32(7-4-13)21-20(29-10-18(25)26)30-15-5-8-33(11-16(15)31-21)22(34)19(27)28/h1-2,9,13,18-19H,3-8,10-11H2,(H,29,30)
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n/an/a 1.11E+5n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191030
PNG
(US10077266, Example 142 | US9181249, 142 | US97083...)
Show SMILES CC(=O)O[C@@H]1C[C@@H](C1)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O |r,wU:6.8,4.3,(2.67,-4.94,;1.33,-5.71,;1.33,-7.25,;,-4.94,;,-3.4,;1.09,-2.31,;,-1.22,;-1.09,-2.31,;,.32,;1.33,1.09,;2.67,.32,;4,1.09,;5.33,.32,;6.67,1.09,;6.67,2.63,;5.33,3.4,;4,2.63,;2.67,3.4,;1.33,2.63,;,3.4,;,4.94,;-1.33,5.71,;-2.67,4.94,;-2.67,3.4,;-1.33,2.63,;-4,5.71,;-5.33,4.94,;-5.33,3.4,;-6.67,2.63,;-8,3.4,;-9.34,2.63,;-8,4.94,;-6.67,5.71,;-6.67,7.25,;8,.32,;9.34,1.09,;8,-1.22,)|
Show InChI InChI=1S/C26H31F2N5O4/c1-15(34)33-10-7-22-23(14-33)30-25(29-18-12-20(13-18)36-16(2)35)26(31-22)32-8-5-19(6-9-32)37-24-4-3-17(27)11-21(24)28/h3-4,11,18-20H,5-10,12-14H2,1-2H3,(H,29,30)/t18-,20+
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n/an/a 1.14E+5n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190932
PNG
(US10077266, Example 43 | US9181249, 43 | US9708313...)
Show SMILES CC(C)Nc1nc2CCN(C(C)c2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)C(F)F
Show InChI InChI=1S/C24H29F4N5O2/c1-13(2)29-22-23(31-20-14(3)33(24(34)21(27)28)11-8-18(20)30-22)32-9-6-16(7-10-32)35-19-5-4-15(25)12-17(19)26/h4-5,12-14,16,21H,6-11H2,1-3H3,(H,29,30)
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n/an/a 1.16E+5n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM191028
PNG
(US10077266, Example 140 | US9181249, 140 | US97083...)
Show SMILES CC(=O)N1CCc2nc(N3CCN(Cc4ccc(F)cc4F)CC3)c(N[C@@H]3C[C@H](O)C3)nc2C1 |r,wU:26.27,28.30,(9.34,-.07,;8,-.84,;8,-2.38,;6.67,-.07,;6.67,1.47,;5.33,2.24,;4,1.47,;2.67,2.24,;1.33,1.47,;,2.24,;-1.33,1.47,;-2.67,2.24,;-2.67,3.78,;-4,4.55,;-5.33,3.78,;-5.33,2.24,;-6.67,1.47,;-8,2.24,;-9.34,1.47,;-8,3.78,;-6.67,4.55,;-6.67,6.09,;-1.33,4.55,;,3.78,;1.33,-.07,;,-.84,;,-2.38,;-1.09,-3.47,;,-4.55,;,-6.09,;1.09,-3.47,;2.67,-.84,;4,-.07,;5.33,-.84,)|
Show InChI InChI=1S/C24H30F2N6O2/c1-15(33)32-5-4-21-22(14-32)28-23(27-18-11-19(34)12-18)24(29-21)31-8-6-30(7-9-31)13-16-2-3-17(25)10-20(16)26/h2-3,10,18-19,34H,4-9,11-14H2,1H3,(H,27,28)/t18-,19+
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n/an/a 1.22E+5n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM190913
PNG
(US10077266, Example 24 | US9181249, 24 | US9708313...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)C(F)F
Show InChI InChI=1S/C23H27F4N5O2/c1-13(2)28-21-22(30-17-7-10-32(12-18(17)29-21)23(33)20(26)27)31-8-5-15(6-9-31)34-19-4-3-14(24)11-16(19)25/h3-4,11,13,15,20H,5-10,12H2,1-2H3,(H,28,29)
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n/an/a 1.29E+5n/an/an/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 US10077266 (2018)


BindingDB Entry DOI: 10.7270/Q2T155PB
More data for this
Ligand-Target Pair
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