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Compile Data Set for Download or QSAR

Found 78 hits of ec50 for UniProtKB: P46095   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50582427
PNG
(CHEMBL3719486)
Show SMILES Clc1ccc(Cl)c(CN2CCN(CC2)c2nc3cnccc3nc2NC2CC2)c1
UniProtKB/SwissProt

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n/an/an/an/a 53n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582426
PNG
(CHEMBL3719411)
Show SMILES Clc1ccc(Cl)c(CN2CCN(CC2)c2nc3ccncc3nc2NC2CC2)c1
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n/an/an/an/a 55n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582425
PNG
(CHEMBL5077335)
Show SMILES CN(C)C(=O)c1ccc2nc(NC3CC3)c(nc2c1)N1CCN(Cc2cc(Cl)ccc2Cl)CC1
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n/an/an/an/a 90n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582424
PNG
(CHEMBL5094307)
Show SMILES Clc1ccc(Cl)c(CN2CCN(CC2)c2nc3ccc(cc3nc2NC2CC2)C#N)c1
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n/an/an/an/a 174n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582423
PNG
(CHEMBL5079685)
Show SMILES Fc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1
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n/an/an/an/a 1.20E+3n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582420
PNG
(CHEMBL3719434)
Show SMILES Clc1ccc(Cl)c(CN2CCN(CC2)c2nc3ccccc3nc2NC2CC2)c1
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n/an/an/an/a 2.10E+3n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50532215
PNG
(CBD-V | CBDV | Cannabidivarin | GWP42006)
Show SMILES [H][C@]1(CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O)C(C)=C |r,c:5|
Show InChI InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582422
PNG
(CHEMBL3719410)
Show SMILES COc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1
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n/an/an/an/a 4.10E+3n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
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 |r|
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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n/an/an/an/a 6.80E+3n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
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 |r|
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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n/an/an/an/a 6.80E+3n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
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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n/an/an/an/a 1.37E+4n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
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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n/an/an/an/a 1.37E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582419
PNG
(CHEMBL3719424)
Show SMILES Cc1cccc(CN2CCN(CC2)c2nc3ccccc3nc2NC2CC2)c1
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n/an/an/an/a 1.40E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582421
PNG
(CHEMBL5074001)
Show SMILES Cc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1
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n/an/an/an/a 1.60E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582435
PNG
(CHEMBL4762823)
Show SMILES CC(C)Nc1nc2cc(C)ncc2nc1N1CCC(CC1)Oc1ccc(F)cc1F
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n/an/an/an/a 1.60E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
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 |r|
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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n/an/an/an/a 1.80E+4n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
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 |r|
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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n/an/an/an/a 1.80E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582432
PNG
(CHEMBL5080739)
Show SMILES CC(C)Nc1nc2ccncc2nc1N1CCN(Cc2ccc(F)cc2F)CC1
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n/an/an/an/a 2.10E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
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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n/an/an/an/a 2.30E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
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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n/an/an/an/a 2.30E+4n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
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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n/an/an/an/a 2.35E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
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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n/an/an/an/a 2.35E+4n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582439
PNG
(CHEMBL5078045)
Show SMILES CC(C)Nc1nc2CN(C=Cc2nc1N1CCN(Cc2ccc(F)cc2F)CC1)C(C)=O |c:9|
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n/an/an/an/a 2.70E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582441
PNG
(CHEMBL5076483)
Show SMILES CC(C)Nc1nc2CN(C=Cc2nc1N1CCN(Cc2ccc(F)cc2F)CC1)S(C)(=O)=O |c:9|
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n/an/an/an/a 2.70E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582434
PNG
(CHEMBL5085738)
Show SMILES Cc1cc2nc(NC3CC3)c(nc2cn1)N1CCC(CC1)Oc1ccc(F)cc1F
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n/an/an/an/a 2.90E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582428
PNG
(CHEMBL3719416)
Show SMILES Fc1ccc(Cl)cc1CN1CCN(CC1)c1nc2cnccc2nc1NC1CC1
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n/an/an/an/a 2.90E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582431
PNG
(CHEMBL4756097)
Show SMILES Cc1cc2nc(NC3CC3)c(nc2cn1)N1CCN(Cc2ccc(F)cc2F)CC1
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n/an/an/an/a 2.90E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582440
PNG
(CHEMBL5080655)
Show SMILES CCC(=O)N1Cc2nc(NC(C)C)c(nc2C=C1)N1CCN(Cc2ccc(F)cc2F)CC1 |c:17|
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n/an/an/an/a 3.00E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
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 |r|
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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n/an/an/an/a 3.02E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
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 |r|
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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n/an/an/an/a 3.02E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
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 |r|
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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n/an/an/an/a 3.02E+4n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
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 |r|
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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n/an/an/an/a 3.02E+4n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
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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n/an/an/an/a 3.27E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
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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n/an/an/an/a 3.27E+4n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582443
PNG
(CHEMBL5077087)
Show SMILES CC(=O)N1Cc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CC3)nc2C=C1 |c:34|
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n/an/an/an/a 3.40E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582449
PNG
(CHEMBL5093828)
Show SMILES CC(C)Nc1nc2CN(C=Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O |c:9|
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n/an/an/an/a 3.40E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
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 3.69E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM382107
PNG
(US10273225, Example 15 | US10273225, Example 16)
Show SMILES CC(C)Nc1nc(C#N)c(nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)N(C)C
Show InChI InChI=1S/C22H26F2N6O2/c1-13(2)26-20-21(28-19(17(12-25)27-20)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,26,27)
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n/an/an/an/a 3.69E+4n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582450
PNG
(CHEMBL4778540)
Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@@H]3CCOC3)nc2C1 |r|
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n/an/an/an/a 3.80E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
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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n/an/an/an/a 3.87E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
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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n/an/an/an/a 3.87E+4n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582430
PNG
(CHEMBL4598390)
Show SMILES Fc1ccc(CN2CCN(CC2)c2nc3cnccc3nc2NC2CC2)c(F)c1
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n/an/an/an/a 3.90E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582448
PNG
(CHEMBL5074623)
Show SMILES CC(=O)N1Cc2nc(NC3CC3)c(nc2C=C1)N1CCC(CC1)Oc1ccc(F)cc1F |c:17|
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n/an/an/an/a 4.30E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))		BDBM50582418
PNG
(CHEMBL1542875)
Show SMILES Cc1cccc(CN2CCN(CC2)c2nc3nonc3nc2NC2CC2)c1
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n/an/an/an/a 4.30E+4n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
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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n/an/an/an/a 4.82E+4n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
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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n/an/an/an/a 4.82E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
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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n/an/an/an/a 4.93E+4n/an/an/an/a



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
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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n/an/an/an/a 4.93E+4n/an/an/an/a



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
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 |r|
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



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


BindingDB Entry DOI: 10.7270/Q23R0W71
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 |r|
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



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


BindingDB Entry DOI: 10.7270/Q24X5B3J
More data for this
Ligand-Target Pair
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