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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'harasawa' and Initial = 't'   
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 52


(Homo sapiens (Human))
BDBM50022147
PNG
(CHEMBL3299117)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc(OCCc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C23H21F3N2O3/c24-23(25,26)19-7-1-4-16(14-19)10-13-31-21-9-3-8-20(28-21)17-5-2-6-18(15-17)22(30)27-11-12-29/h1-9,14-15,29H,10-13H2,(H,27,30)
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n/an/an/an/a 646n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GPR52 (unknown origin)


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460264
PNG
(CHEMBL4229128)
Show SMILES COCCNC(=O)c1cn(nc1C)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C24H22F3N3O2S/c1-15-20(23(31)28-9-10-32-2)14-30(29-15)21-8-4-6-17-13-19(33-22(17)21)12-16-5-3-7-18(11-16)24(25,26)27/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,28,31)
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n/an/an/an/a 9.60n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022152
PNG
(CHEMBL3299018)
Show SMILES COc1ccc(cc1)-c1ccnc(NCCc2ccc(OC)c(OC)c2C)n1
Show InChI InChI=1S/C22H25N3O3/c1-15-16(7-10-20(27-3)21(15)28-4)11-13-23-22-24-14-12-19(25-22)17-5-8-18(26-2)9-6-17/h5-10,12,14H,11,13H2,1-4H3,(H,23,24,25)
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n/an/an/an/a<1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022153
PNG
(CHEMBL3299119)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2oc(Cc3cccc(c3)C(F)(F)F)cc12
Show InChI InChI=1S/C25H20F3NO3/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)
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n/an/an/an/a 28n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022156
PNG
(CHEMBL3299120)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)oc12
Show InChI InChI=1S/C25H20F3NO3/c26-25(27,28)20-8-1-4-16(12-20)13-21-15-18-6-3-9-22(23(18)32-21)17-5-2-7-19(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)
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n/an/an/an/a 35n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022157
PNG
(CHEMBL3299121)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2sc(Cc3cccc(c3)C(F)(F)F)cc12
Show InChI InChI=1S/C25H20F3NO2S/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)
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n/an/an/an/a 38n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022158
PNG
(CHEMBL3299122)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H20F3NO2S/c26-25(27,28)20-8-1-4-16(12-20)13-21-15-18-6-3-9-22(23(18)32-21)17-5-2-7-19(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)
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n/an/an/an/a 37n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022159
PNG
(CHEMBL3299123)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2nn(Cc3cccc(c3)C(F)(F)F)cc12
Show InChI InChI=1S/C24H20F3N3O2/c25-24(26,27)19-7-1-4-16(12-19)14-30-15-21-20(8-3-9-22(21)29-30)17-5-2-6-18(13-17)23(32)28-10-11-31/h1-9,12-13,15,31H,10-11,14H2,(H,28,32)
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n/an/an/an/a 39n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022162
PNG
(CHEMBL3299124)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2cn(Cc3cccc(c3)C(F)(F)F)nc12
Show InChI InChI=1S/C24H20F3N3O2/c25-24(26,27)20-8-1-4-16(12-20)14-30-15-19-7-3-9-21(22(19)29-30)17-5-2-6-18(13-17)23(32)28-10-11-31/h1-9,12-13,15,31H,10-11,14H2,(H,28,32)
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n/an/an/an/a 65n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022164
PNG
(CHEMBL3299125)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2OC(Cc3cccc(c3)C(F)(F)F)Cc12
Show InChI InChI=1S/C25H22F3NO3/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14,20,30H,10-11,13,15H2,(H,29,31)
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n/an/an/an/a 646n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022165
PNG
(CHEMBL3297807)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2CC(Cc3cccc(c3)C(F)(F)F)Oc12
Show InChI InChI=1S/C25H22F3NO3/c26-25(27,28)20-8-1-4-16(12-20)13-21-15-18-6-3-9-22(23(18)32-21)17-5-2-7-19(14-17)24(31)29-10-11-30/h1-9,12,14,21,30H,10-11,13,15H2,(H,29,31)
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n/an/an/an/a 209n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022166
PNG
(CHEMBL3297808)
Show SMILES Cc1c(Cc2cccc(c2)C(F)(F)F)oc2cccc(-c3cccc(c3)C(=O)NCCO)c12
Show InChI InChI=1S/C26H22F3NO3/c1-16-23(14-17-5-2-8-20(13-17)26(27,28)29)33-22-10-4-9-21(24(16)22)18-6-3-7-19(15-18)25(32)30-11-12-31/h2-10,13,15,31H,11-12,14H2,1H3,(H,30,32)
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n/an/an/an/a<1.00E+4n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022169
PNG
(CHEMBL3297809)
Show SMILES Cc1c(Cc2cccc(c2)C(F)(F)F)oc2c(cccc12)-c1cccc(c1)C(=O)NCCO
Show InChI InChI=1S/C26H22F3NO3/c1-16-21-9-4-10-22(18-6-3-7-19(15-18)25(32)30-11-12-31)24(21)33-23(16)14-17-5-2-8-20(13-17)26(27,28)29/h2-10,13,15,31H,11-12,14H2,1H3,(H,30,32)
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n/an/an/an/a 81n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022170
PNG
(CHEMBL3297810)
Show SMILES NC(=O)CNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H19F3N2O2S/c26-25(27,28)19-8-1-4-15(10-19)11-20-13-17-6-3-9-21(23(17)33-20)16-5-2-7-18(12-16)24(32)30-14-22(29)31/h1-10,12-13H,11,14H2,(H2,29,31)(H,30,32)
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n/an/an/an/a 55n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022189
PNG
(CHEMBL3297811)
Show SMILES COCCNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C26H22F3NO2S/c1-32-12-11-30-25(31)20-8-3-6-18(15-20)23-10-4-7-19-16-22(33-24(19)23)14-17-5-2-9-21(13-17)26(27,28)29/h2-10,13,15-16H,11-12,14H2,1H3,(H,30,31)
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n/an/an/an/a 43n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022190
PNG
(CHEMBL3298233)
Show SMILES COCCNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cc(F)cc(Cl)c3)sc12
Show InChI InChI=1S/C25H21ClFNO2S/c1-30-9-8-28-25(29)19-6-2-4-17(13-19)23-7-3-5-18-14-22(31-24(18)23)12-16-10-20(26)15-21(27)11-16/h2-7,10-11,13-15H,8-9,12H2,1H3,(H,28,29)
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n/an/an/an/a 30n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022254
PNG
(CHEMBL3298234)
Show SMILES NC(=O)CNC(=O)c1cccc(c1)-c1ccc(F)c2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H18F4N2O2S/c26-21-8-7-19(15-4-2-5-16(11-15)24(33)31-13-22(30)32)23-20(21)12-18(34-23)10-14-3-1-6-17(9-14)25(27,28)29/h1-9,11-12H,10,13H2,(H2,30,32)(H,31,33)
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n/an/an/an/a 83n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460255
PNG
(CHEMBL4226295)
Show SMILES Cc1nn(cc1C(=O)NCCO)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C23H20F3N3O2S/c1-14-19(22(31)27-8-9-30)13-29(28-14)20-7-3-5-16-12-18(32-21(16)20)11-15-4-2-6-17(10-15)23(24,25)26/h2-7,10,12-13,30H,8-9,11H2,1H3,(H,27,31)
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n/an/an/an/a 5.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460256
PNG
(CHEMBL4226751)
Show SMILES Cc1c(C(=O)NCCO)c(CO)nn1-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C24H22F3N3O3S/c1-14-21(23(33)28-8-9-31)19(13-32)29-30(14)20-7-3-5-16-12-18(34-22(16)20)11-15-4-2-6-17(10-15)24(25,26)27/h2-7,10,12,31-32H,8-9,11,13H2,1H3,(H,28,33)
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n/an/an/an/a 146n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460257
PNG
(CHEMBL4228912)
Show SMILES Cc1nn(c(CO)c1C(=O)NCCO)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C24H22F3N3O3S/c1-14-21(23(33)28-8-9-31)20(13-32)30(29-14)19-7-3-5-16-12-18(34-22(16)19)11-15-4-2-6-17(10-15)24(25,26)27/h2-7,10,12,31-32H,8-9,11,13H2,1H3,(H,28,33)
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n/an/an/an/a 21n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460258
PNG
(CHEMBL4228734)
Show SMILES Cn1nc(cc1C(=O)NCCO)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C23H20F3N3O2S/c1-29-20(22(31)27-8-9-30)13-19(28-29)18-7-3-5-15-12-17(32-21(15)18)11-14-4-2-6-16(10-14)23(24,25)26/h2-7,10,12-13,30H,8-9,11H2,1H3,(H,27,31)
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n/an/an/an/a 45n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460259
PNG
(CHEMBL4226750)
Show SMILES COCCNC(=O)c1cnn(c1C)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C24H22F3N3O2S/c1-15-20(23(31)28-9-10-32-2)14-29-30(15)21-8-4-6-17-13-19(33-22(17)21)12-16-5-3-7-18(11-16)24(25,26)27/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,28,31)
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n/an/an/an/a 62n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460260
PNG
(CHEMBL4226225)
Show SMILES OCCNC(=O)c1cnn(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C22H18F3N3O2S/c23-22(24,25)17-5-1-3-14(9-17)10-18-11-15-4-2-6-19(20(15)31-18)28-13-16(12-27-28)21(30)26-7-8-29/h1-6,9,11-13,29H,7-8,10H2,(H,26,30)
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n/an/an/an/a 87n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460261
PNG
(CHEMBL4226253)
Show SMILES COCCNC(=O)c1cnn(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C23H20F3N3O2S/c1-31-9-8-27-22(30)17-13-28-29(14-17)20-7-3-5-16-12-19(32-21(16)20)11-15-4-2-6-18(10-15)23(24,25)26/h2-7,10,12-14H,8-9,11H2,1H3,(H,27,30)
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Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460262
PNG
(CHEMBL4229063)
Show SMILES Cc1nn(c(C)c1C(=O)NCCO)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C24H22F3N3O2S/c1-14-21(23(32)28-9-10-31)15(2)30(29-14)20-8-4-6-17-13-19(33-22(17)20)12-16-5-3-7-18(11-16)24(25,26)27/h3-8,11,13,31H,9-10,12H2,1-2H3,(H,28,32)
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n/an/an/an/a 15n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460263
PNG
(CHEMBL4226695)
Show SMILES COCCNC(=O)c1c(C)nn(c1C)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H24F3N3O2S/c1-15-22(24(32)29-10-11-33-3)16(2)31(30-15)21-9-5-7-18-14-20(34-23(18)21)13-17-6-4-8-19(12-17)25(26,27)28/h4-9,12,14H,10-11,13H2,1-3H3,(H,29,32)
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Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50022151
PNG
(CHEMBL3299118)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc(OCCc2cc(F)cc(Cl)c2)n1
Show InChI InChI=1S/C22H20ClFN2O3/c23-18-11-15(12-19(24)14-18)7-10-29-21-6-2-5-20(26-21)16-3-1-4-17(13-16)22(28)25-8-9-27/h1-6,11-14,27H,7-10H2,(H,25,28)
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Article
PubMed
n/an/an/an/a 347n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at GPR52 (unknown origin)


J Med Chem 57: 5226-37 (2014)


Article DOI: 10.1021/jm5002919
BindingDB Entry DOI: 10.7270/Q2CR5VZD
More data for this
Ligand-Target Pair