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Compile Data Set for Download or QSAR

Found 261 hits with Last Name = 'kunitomo' and Initial = 'j'   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50129260
PNG
(CHEMBL3629735)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(CC3CC3)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C28H26FN5O3/c1-28(2)23-19(32(27(28)36)15-17-9-10-17)11-12-20(24(23)29)33-16-22(37-3)26(35)25(31-33)21-13-14-30-34(21)18-7-5-4-6-8-18/h4-8,11-14,16-17H,9-10,15H2,1-3H3
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n/an/a 0.0800n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...

Bioorg Med Chem 23: 7138-49 (2015)


Article DOI: 10.1016/j.bmc.2015.10.002
BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50129262
PNG
(CHEMBL3627741)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C(C)C)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C27H26FN5O3/c1-16(2)32-18-11-12-19(23(28)22(18)27(3,4)26(32)35)31-15-21(36-5)25(34)24(30-31)20-13-14-29-33(20)17-9-7-6-8-10-17/h6-16H,1-5H3
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n/an/a 0.110n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...

Bioorg Med Chem 23: 7138-49 (2015)


Article DOI: 10.1016/j.bmc.2015.10.002
BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50129261
PNG
(CHEMBL3629734)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C3CCC3)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C28H26FN5O3/c1-28(2)23-19(33(27(28)36)17-10-7-11-17)12-13-20(24(23)29)32-16-22(37-3)26(35)25(31-32)21-14-15-30-34(21)18-8-5-4-6-9-18/h4-6,8-9,12-17H,7,10-11H2,1-3H3
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n/an/a 0.120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...

Bioorg Med Chem 23: 7138-49 (2015)


Article DOI: 10.1016/j.bmc.2015.10.002
BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50129263
PNG
(CHEMBL3629733)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C)C(=O)C3(CCC3)c2c1F
Show InChI InChI=1S/C26H22FN5O3/c1-30-17-9-10-18(22(27)21(17)26(25(30)34)12-6-13-26)31-15-20(35-2)24(33)23(29-31)19-11-14-28-32(19)16-7-4-3-5-8-16/h3-5,7-11,14-15H,6,12-13H2,1-2H3
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n/an/a 0.130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...

Bioorg Med Chem 23: 7138-49 (2015)


Article DOI: 10.1016/j.bmc.2015.10.002
BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451372
PNG
(CHEMBL4217405)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H36F4N6O4/c1-20-15-23(35)10-11-28(20)44-14-13-43(19-30(44)45)33(47)41-31(21(2)25-17-39-26-8-6-5-7-24(25)26)32(46)40-27-16-22(18-42(3)4)9-12-29(27)48-34(36,37)38/h5-12,15-17,21,31,39H,13-14,18-19H2,1-4H3,(H,40,46)(H,41,47)/t21-,31+/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451373
PNG
(CHEMBL4206924)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)c1ccccc1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C35H43N5O3/c1-5-43-32-16-15-25(23-39(3)4)21-31(32)37-34(41)33(24(2)29-22-36-30-14-10-9-13-28(29)30)38-35(42)40-19-17-27(18-20-40)26-11-7-6-8-12-26/h6-16,21-22,24,27,33,36H,5,17-20,23H2,1-4H3,(H,37,41)(H,38,42)/t24-,33+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451391
PNG
(CHEMBL4212088)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C35H41FN6O4/c1-6-46-31-14-11-24(20-40(4)5)18-29(31)38-34(44)33(23(3)27-19-37-28-10-8-7-9-26(27)28)39-35(45)41-15-16-42(32(43)21-41)30-13-12-25(36)17-22(30)2/h7-14,17-19,23,33,37H,6,15-16,20-21H2,1-5H3,(H,38,44)(H,39,45)/t23-,33+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451392
PNG
(CHEMBL4214725)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H39FN6O4/c1-5-45-30-15-10-23(20-39(3)4)18-29(30)37-33(43)32(22(2)27-19-36-28-9-7-6-8-26(27)28)38-34(44)40-16-17-41(31(42)21-40)25-13-11-24(35)12-14-25/h6-15,18-19,22,32,36H,5,16-17,20-21H2,1-4H3,(H,37,43)(H,38,44)/t22-,32+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451394
PNG
(CHEMBL4205606)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(CC1)c1ccc(F)cc1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H41FN6O3/c1-5-44-31-15-10-24(22-39(3)4)20-30(31)37-33(42)32(23(2)28-21-36-29-9-7-6-8-27(28)29)38-34(43)41-18-16-40(17-19-41)26-13-11-25(35)12-14-26/h6-15,20-21,23,32,36H,5,16-19,22H2,1-4H3,(H,37,42)(H,38,43)/t23-,32+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50129264
PNG
(CHEMBL3629732)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C25H22FN5O3/c1-25(2)20-16(29(3)24(25)33)10-11-17(21(20)26)30-14-19(34-4)23(32)22(28-30)18-12-13-27-31(18)15-8-6-5-7-9-15/h5-14H,1-4H3
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n/an/a 0.220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...

Bioorg Med Chem 23: 7138-49 (2015)


Article DOI: 10.1016/j.bmc.2015.10.002
BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50129265
PNG
(CHEMBL3629542)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)N1CCCC1
Show InChI InChI=1S/C24H22FN5O2/c1-32-22-16-29(20-10-9-18(15-19(20)25)28-13-5-6-14-28)27-23(24(22)31)21-11-12-26-30(21)17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3
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n/an/a 0.230n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...

Bioorg Med Chem 23: 7138-49 (2015)


Article DOI: 10.1016/j.bmc.2015.10.002
BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451384
PNG
(CHEMBL4210064)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C35H39FN6O4/c1-21-16-25(36)11-13-31(21)42-15-14-41(20-32(42)44)35(46)39-33(22(2)28-18-37-29-9-7-6-8-27(28)29)34(45)38-30-17-24(19-40(4)5)10-12-26(30)23(3)43/h6-13,16-18,22,33,37H,14-15,19-20H2,1-5H3,(H,38,45)(H,39,46)/t22-,33+/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451385
PNG
(CHEMBL4205969)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H37FN6O4/c1-21(28-18-36-29-8-6-5-7-27(28)29)32(33(44)37-30-17-23(19-39(3)4)9-14-26(30)22(2)42)38-34(45)40-15-16-41(31(43)20-40)25-12-10-24(35)11-13-25/h5-14,17-18,21,32,36H,15-16,19-20H2,1-4H3,(H,37,44)(H,38,45)/t21-,32+/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451382
PNG
(CHEMBL4205696)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H34F4N6O4/c1-20(25-17-38-26-7-5-4-6-24(25)26)30(31(45)39-27-16-21(18-41(2)3)8-13-28(27)47-33(35,36)37)40-32(46)42-14-15-43(29(44)19-42)23-11-9-22(34)10-12-23/h4-13,16-17,20,30,38H,14-15,18-19H2,1-3H3,(H,39,45)(H,40,46)/t20-,30+/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50383112
PNG
(CHEMBL2029372)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12
Show InChI InChI=1S/C28H26FN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33)
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n/an/a 0.540n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451399
PNG
(CHEMBL4208528)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1cccs1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H41N5O4S/c1-5-43-29-13-12-23(21-38(3)4)19-28(29)36-33(41)31(22(2)26-20-35-27-10-7-6-9-25(26)27)37-34(42)39-16-14-24(15-17-39)32(40)30-11-8-18-44-30/h6-13,18-20,22,24,31,35H,5,14-17,21H2,1-4H3,(H,36,41)(H,37,42)/t22-,31+/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451395
PNG
(CHEMBL4211422)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)C1CCC1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H45N5O4/c1-5-43-30-14-13-23(21-38(3)4)19-29(30)36-33(41)31(22(2)27-20-35-28-12-7-6-11-26(27)28)37-34(42)39-17-15-25(16-18-39)32(40)24-9-8-10-24/h6-7,11-14,19-20,22,24-25,31,35H,5,8-10,15-18,21H2,1-4H3,(H,36,41)(H,37,42)/t22-,31+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451390
PNG
(CHEMBL4210627)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)C(=O)c1cccs1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H39N5O4S/c1-21(27-19-35-28-9-6-5-8-26(27)28)31(33(42)36-29-18-23(20-38(3)4)11-12-25(29)22(2)40)37-34(43)39-15-13-24(14-16-39)32(41)30-10-7-17-44-30/h5-12,17-19,21,24,31,35H,13-16,20H2,1-4H3,(H,36,42)(H,37,43)/t21-,31+/m0/s1
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n/an/a 0.680n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451388
PNG
(CHEMBL4215053)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)C(=O)C1CCC1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H43N5O4/c1-21(28-19-35-29-11-6-5-10-27(28)29)31(33(42)36-30-18-23(20-38(3)4)12-13-26(30)22(2)40)37-34(43)39-16-14-25(15-17-39)32(41)24-8-7-9-24/h5-6,10-13,18-19,21,24-25,31,35H,7-9,14-17,20H2,1-4H3,(H,36,42)(H,37,43)/t21-,31+/m0/s1
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n/an/a 0.690n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a 0.760n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...

Bioorg Med Chem 24: 3447-55 (2016)


Article DOI: 10.1016/j.bmc.2016.05.049
BindingDB Entry DOI: 10.7270/Q2H9974G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50129266
PNG
(CHEMBL3629541)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)N1CCCC1=O
Show InChI InChI=1S/C24H20FN5O3/c1-33-21-15-29(19-10-9-17(14-18(19)25)28-13-5-8-22(28)31)27-23(24(21)32)20-11-12-26-30(20)16-6-3-2-4-7-16/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3
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n/an/a 0.790n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...

Bioorg Med Chem 23: 7138-49 (2015)


Article DOI: 10.1016/j.bmc.2015.10.002
BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50180271
PNG
(CHEMBL3814601)
Show SMILES Cn1c(CCCOc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc12
Show InChI InChI=1S/C28H28N6O2/c1-32-23-11-6-5-10-22(23)30-26(32)12-7-17-36-25-19-33(18-20-13-14-20)31-27(28(25)35)24-15-16-29-34(24)21-8-3-2-4-9-21/h2-6,8-11,15-16,19-20H,7,12-14,17-18H2,1H3
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n/an/a 0.810n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...

Bioorg Med Chem 24: 3447-55 (2016)


Article DOI: 10.1016/j.bmc.2016.05.049
BindingDB Entry DOI: 10.7270/Q2H9974G
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451396
PNG
(CHEMBL4216387)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)CC(C)C)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H47N5O4/c1-7-43-31-13-12-24(21-38(5)6)19-29(31)36-33(41)32(23(4)27-20-35-28-11-9-8-10-26(27)28)37-34(42)39-16-14-25(15-17-39)30(40)18-22(2)3/h8-13,19-20,22-23,25,32,35H,7,14-18,21H2,1-6H3,(H,36,41)(H,37,42)/t23-,32+/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50129267
PNG
(CHEMBL3629540)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)N1CCOC1=O
Show InChI InChI=1S/C23H18FN5O4/c1-32-20-14-28(18-8-7-16(13-17(18)24)27-11-12-33-23(27)31)26-21(22(20)30)19-9-10-25-29(19)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3
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n/an/a 0.940n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...

Bioorg Med Chem 23: 7138-49 (2015)


Article DOI: 10.1016/j.bmc.2015.10.002
BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451386
PNG
(CHEMBL4203793)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(CC1)C(=O)C(C)(C)C)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H44N6O4/c1-21(26-19-34-27-11-9-8-10-25(26)27)29(36-32(43)39-16-14-38(15-17-39)31(42)33(3,4)5)30(41)35-28-18-23(20-37(6)7)12-13-24(28)22(2)40/h8-13,18-19,21,29,34H,14-17,20H2,1-7H3,(H,35,41)(H,36,43)/t21-,29+/m0/s1
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n/an/a 0.980n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50383112
PNG
(CHEMBL2029372)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12
Show InChI InChI=1S/C28H26FN3O/c1-19-26(13-10-24-16-20(17-30-27(19)24)18-32-14-2-3-15-32)31-28(33)23-6-4-21(5-7-23)22-8-11-25(29)12-9-22/h4-13,16-17H,2-3,14-15,18H2,1H3,(H,31,33)
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451397
PNG
(CHEMBL4208009)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)C(C)C)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H45N5O4/c1-7-42-29-13-12-23(20-37(5)6)18-28(29)35-32(40)30(22(4)26-19-34-27-11-9-8-10-25(26)27)36-33(41)38-16-14-24(15-17-38)31(39)21(2)3/h8-13,18-19,21-22,24,30,34H,7,14-17,20H2,1-6H3,(H,35,40)(H,36,41)/t22-,30+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50388452
PNG
(CHEMBL2059420)
Show SMILES C[C@@H](N1CCCC1)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1 |r|
Show InChI InChI=1S/C27H31N3O2/c1-18-25(29-27(31)21-7-10-24(11-8-21)32-17-20-5-6-20)12-9-22-15-23(16-28-26(18)22)19(2)30-13-3-4-14-30/h7-12,15-16,19-20H,3-6,13-14,17H2,1-2H3,(H,29,31)/t19-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50388442
PNG
(CHEMBL2059408)
Show SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C
Show InChI InChI=1S/C26H31N3O2/c1-3-4-15-31-23-10-7-21(8-11-23)26(30)28-24-12-9-22-16-20(17-27-25(22)19(24)2)18-29-13-5-6-14-29/h7-12,16-17H,3-6,13-15,18H2,1-2H3,(H,28,30)
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50388444
PNG
(CHEMBL2059410)
Show SMILES Cc1c(NC(=O)c2ccc(OCCC3CC3)cc2)ccc2cc(CN3CCCC3)cnc12
Show InChI InChI=1S/C27H31N3O2/c1-19-25(11-8-23-16-21(17-28-26(19)23)18-30-13-2-3-14-30)29-27(31)22-6-9-24(10-7-22)32-15-12-20-4-5-20/h6-11,16-17,20H,2-5,12-15,18H2,1H3,(H,29,31)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50388460
PNG
(CHEMBL2059513)
Show SMILES C[C@@H](NCCNC(C)=O)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1 |r|
Show InChI InChI=1S/C27H32N4O3/c1-17-25(31-27(33)21-6-9-24(10-7-21)34-16-20-4-5-20)11-8-22-14-23(15-30-26(17)22)18(2)28-12-13-29-19(3)32/h6-11,14-15,18,20,28H,4-5,12-13,16H2,1-3H3,(H,29,32)(H,31,33)/t18-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50388457
PNG
(CHEMBL2059426)
Show SMILES CC(NCC(C)(C)O)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1
Show InChI InChI=1S/C27H33N3O3/c1-17-24(30-26(31)20-7-10-23(11-8-20)33-15-19-5-6-19)12-9-21-13-22(14-28-25(17)21)18(2)29-16-27(3,4)32/h7-14,18-19,29,32H,5-6,15-16H2,1-4H3,(H,30,31)
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50388443
PNG
(CHEMBL2059409)
Show SMILES Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(CN3CCCC3)cnc12
Show InChI InChI=1S/C26H29N3O2/c1-18-24(28-26(30)21-6-9-23(10-7-21)31-17-19-4-5-19)11-8-22-14-20(15-27-25(18)22)16-29-12-2-3-13-29/h6-11,14-15,19H,2-5,12-13,16-17H2,1H3,(H,28,30)
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n/an/a 1.60n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50388450
PNG
(CHEMBL2059418)
Show SMILES CC(N1CCCC1)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1
Show InChI InChI=1S/C27H31N3O2/c1-18-25(29-27(31)21-7-10-24(11-8-21)32-17-20-5-6-20)12-9-22-15-23(16-28-26(18)22)19(2)30-13-3-4-14-30/h7-12,15-16,19-20H,3-6,13-14,17H2,1-2H3,(H,29,31)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451387
PNG
(CHEMBL4203387)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(CC1)C(=O)C1CCC1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H42N6O4/c1-21(27-19-34-28-11-6-5-10-26(27)28)30(31(41)35-29-18-23(20-37(3)4)12-13-25(29)22(2)40)36-33(43)39-16-14-38(15-17-39)32(42)24-8-7-9-24/h5-6,10-13,18-19,21,24,30,34H,7-9,14-17,20H2,1-4H3,(H,35,41)(H,36,43)/t21-,30+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50388443
PNG
(CHEMBL2059409)
Show SMILES Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(CN3CCCC3)cnc12
Show InChI InChI=1S/C26H29N3O2/c1-18-24(28-26(30)21-6-9-23(10-7-21)31-17-19-4-5-19)11-8-22-14-20(15-27-25(18)22)16-29-12-2-3-13-29/h6-11,14-15,19H,2-5,12-13,16-17H2,1H3,(H,28,30)
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50388458
PNG
(CHEMBL2059511)
Show SMILES CC(NCCNC(C)=O)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1
Show InChI InChI=1S/C27H32N4O3/c1-17-25(31-27(33)21-6-9-24(10-7-21)34-16-20-4-5-20)11-8-22-14-23(15-30-26(17)22)18(2)28-12-13-29-19(3)32/h6-11,14-15,18,20,28H,4-5,12-13,16H2,1-3H3,(H,29,32)(H,31,33)
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n/an/a 1.90n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50388452
PNG
(CHEMBL2059420)
Show SMILES C[C@@H](N1CCCC1)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1 |r|
Show InChI InChI=1S/C27H31N3O2/c1-18-25(29-27(31)21-7-10-24(11-8-21)32-17-20-5-6-20)12-9-22-15-23(16-28-26(18)22)19(2)30-13-3-4-14-30/h7-12,15-16,19-20H,3-6,13-14,17H2,1-2H3,(H,29,31)/t19-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50388454
PNG
(CHEMBL2059422)
Show SMILES CC(N1CCCCCC1)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1
Show InChI InChI=1S/C29H35N3O2/c1-20-27(31-29(33)23-9-12-26(13-10-23)34-19-22-7-8-22)14-11-24-17-25(18-30-28(20)24)21(2)32-15-5-3-4-6-16-32/h9-14,17-18,21-22H,3-8,15-16,19H2,1-2H3,(H,31,33)
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n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50388442
PNG
(CHEMBL2059408)
Show SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C
Show InChI InChI=1S/C26H31N3O2/c1-3-4-15-31-23-10-7-21(8-11-23)26(30)28-24-12-9-22-16-20(17-27-25(22)19(24)2)18-29-13-5-6-14-29/h7-12,16-17H,3-6,13-15,18H2,1-2H3,(H,28,30)
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n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50388444
PNG
(CHEMBL2059410)
Show SMILES Cc1c(NC(=O)c2ccc(OCCC3CC3)cc2)ccc2cc(CN3CCCC3)cnc12
Show InChI InChI=1S/C27H31N3O2/c1-19-25(11-8-23-16-21(17-28-26(19)23)18-30-13-2-3-14-30)29-27(31)22-6-9-24(10-7-22)32-15-12-20-4-5-20/h6-11,16-17,20H,2-5,12-15,18H2,1H3,(H,29,31)
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n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-stimulated arachidonic acid release after 45 mins by liquid s...

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50388444
PNG
(CHEMBL2059410)
Show SMILES Cc1c(NC(=O)c2ccc(OCCC3CC3)cc2)ccc2cc(CN3CCCC3)cnc12
Show InChI InChI=1S/C27H31N3O2/c1-19-25(11-8-23-16-21(17-28-26(19)23)18-30-13-2-3-14-30)29-27(31)22-6-9-24(10-7-22)32-15-12-20-4-5-20/h6-11,16-17,20H,2-5,12-15,18H2,1H3,(H,29,31)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451398
PNG
(CHEMBL4203652)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1nccs1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H40N6O4S/c1-5-43-28-11-10-22(20-38(3)4)18-27(28)36-31(41)29(21(2)25-19-35-26-9-7-6-8-24(25)26)37-33(42)39-15-12-23(13-16-39)30(40)32-34-14-17-44-32/h6-11,14,17-19,21,23,29,35H,5,12-13,15-16,20H2,1-4H3,(H,36,41)(H,37,42)/t21-,29+/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451389
PNG
(CHEMBL4215052)
Show SMILES CC(C)C(=O)C1CCN(CC1)C(=O)N[C@H]([C@@H](C)c1c[nH]c2ccccc12)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O |r|
Show InChI InChI=1S/C33H43N5O4/c1-20(2)31(40)24-13-15-38(16-14-24)33(42)36-30(21(3)27-18-34-28-10-8-7-9-26(27)28)32(41)35-29-17-23(19-37(5)6)11-12-25(29)22(4)39/h7-12,17-18,20-21,24,30,34H,13-16,19H2,1-6H3,(H,35,41)(H,36,42)/t21-,30+/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451393
PNG
(CHEMBL4202861)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(CC1)C(=O)C1CCC1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H44N6O4/c1-5-43-29-14-13-23(21-37(3)4)19-28(29)35-31(40)30(22(2)26-20-34-27-12-7-6-11-25(26)27)36-33(42)39-17-15-38(16-18-39)32(41)24-9-8-10-24/h6-7,11-14,19-20,22,24,30,34H,5,8-10,15-18,21H2,1-4H3,(H,35,40)(H,36,42)/t22-,30+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451370
PNG
(CHEMBL4204193)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1ccco1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H41N5O5/c1-5-43-29-13-12-23(21-38(3)4)19-28(29)36-33(41)31(22(2)26-20-35-27-10-7-6-9-25(26)27)37-34(42)39-16-14-24(15-17-39)32(40)30-11-8-18-44-30/h6-13,18-20,22,24,31,35H,5,14-17,21H2,1-4H3,(H,36,41)(H,37,42)/t22-,31+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM31587
PNG
(oxadiazole derivative, 20x)
Show SMILES COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
Show InChI InChI=1S/C24H17N5O2S/c1-30-20-8-6-19(7-9-20)29-15-26-21-10-5-18(12-22(21)29)23-27-28-24(31-23)32-14-17-4-2-3-16(11-17)13-25/h2-12,15H,14H2,1H3
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n/an/a 2.30n/an/an/an/a7.537



Takeda Pharmaceutical Company Ltd.



Assay Description
Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96...

Bioorg Med Chem 17: 2017-29 (2009)


Article DOI: 10.1016/j.bmc.2009.01.019
BindingDB Entry DOI: 10.7270/Q2DR2STZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451369
PNG
(CHEMBL4207735)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(CC1)C(=O)C(C)(C)C)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H46N6O4/c1-8-43-28-14-13-23(21-37(6)7)19-27(28)35-30(40)29(22(2)25-20-34-26-12-10-9-11-24(25)26)36-32(42)39-17-15-38(16-18-39)31(41)33(3,4)5/h9-14,19-20,22,29,34H,8,15-18,21H2,1-7H3,(H,35,40)(H,36,42)/t22-,29+/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50388460
PNG
(CHEMBL2059513)
Show SMILES C[C@@H](NCCNC(C)=O)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1 |r|
Show InChI InChI=1S/C27H32N4O3/c1-17-25(31-27(33)21-6-9-24(10-7-21)34-16-20-4-5-20)11-8-22-14-23(15-30-26(17)22)18(2)28-12-13-29-19(3)32/h6-11,14-15,18,20,28H,4-5,12-13,16H2,1-3H3,(H,29,32)(H,31,33)/t18-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50388453
PNG
(CHEMBL2059421)
Show SMILES CC(N1CCCCC1)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1
Show InChI InChI=1S/C28H33N3O2/c1-19-26(30-28(32)22-8-11-25(12-9-22)33-18-21-6-7-21)13-10-23-16-24(17-29-27(19)23)20(2)31-14-4-3-5-15-31/h8-13,16-17,20-21H,3-7,14-15,18H2,1-2H3,(H,30,32)
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n/an/a 2.40n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting

J Med Chem 55: 4336-51 (2012)


Article DOI: 10.1021/jm300167z
BindingDB Entry DOI: 10.7270/Q2JS9RHR
More data for this
Ligand-Target Pair
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