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Compile Data Set for Download or QSAR

Found 505 hits with Last Name = 'kamata' and Initial = 'm'   
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
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))
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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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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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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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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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))
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50383116
PNG
(CHEMBL2031736)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)ccc2cc(CN3CCCC3)cnc12
Show InChI InChI=1S/C28H26ClN3O/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 0.360n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50351324
PNG
(CHEMBL1818901)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C28H27FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32)
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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 [3H]mesulergine from human 5HT2C receptor expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50383114
PNG
(CHEMBL2031734)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C
Show InChI InChI=1S/C29H29N3O2/c1-20-27(14-11-25-17-21(18-30-28(20)25)19-32-15-3-4-16-32)31-29(33)24-7-5-22(6-8-24)23-9-12-26(34-2)13-10-23/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,33)
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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]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
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 Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50383096
PNG
(CHEMBL2031716)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Show InChI InChI=1S/C27H24ClN3O/c28-24-10-7-21(8-11-24)20-3-5-22(6-4-20)27(32)30-25-12-9-23-15-19(17-29-26(23)16-25)18-31-13-1-2-14-31/h3-12,15-17H,1-2,13-14,18H2,(H,30,32)
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n/an/a 0.740n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50383091
PNG
(CHEMBL2031573)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)ccc2c1
Show InChI InChI=1S/C28H25FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h3-14,17-18H,1-2,15-16,19H2,(H,30,32)
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n/an/a 0.760n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50383092
PNG
(CHEMBL2031574)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)COc2c1 |t:22|
Show InChI InChI=1S/C27H25FN2O2/c28-24-10-7-21(8-11-24)20-3-5-22(6-4-20)27(31)29-25-12-9-23-15-19(18-32-26(23)16-25)17-30-13-1-2-14-30/h3-12,15-16H,1-2,13-14,17-18H2,(H,29,31)
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n/an/a 0.910n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50383107
PNG
(CHEMBL2031727)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1F
Show InChI InChI=1S/C27H23F2N3O/c28-23-10-7-20(8-11-23)19-3-5-21(6-4-19)27(33)31-24-12-9-22-15-18(16-30-26(22)25(24)29)17-32-13-1-2-14-32/h3-12,15-16H,1-2,13-14,17H2,(H,31,33)
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n/an/a 0.920n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50357496
PNG
(CHEMBL1914623)
Show SMILES CN1CCc2ccc(cc2CC1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H33ClN2O/c1-28-15-10-21-4-5-24(19-23(21)11-16-28)26(30)3-2-14-29-17-12-22(13-18-29)20-6-8-25(27)9-7-20/h4-9,19,22H,2-3,10-18H2,1H3
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n/an/a 0.960n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4-19) from human MCHR1 expressed in CHO cells


Bioorg Med Chem 19: 6261-73 (2011)


Article DOI: 10.1016/j.bmc.2011.09.007
BindingDB Entry DOI: 10.7270/Q26T0N2H
More data for this
Ligand-Target Pair
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50383115
PNG
(CHEMBL2031735)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C
Show InChI InChI=1S/C29H29N3O/c1-20-5-7-23(8-6-20)24-9-11-25(12-10-24)29(33)31-27-14-13-26-17-22(18-30-28(26)21(27)2)19-32-15-3-4-16-32/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,33)
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
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))
BDBM50357495
PNG
(CHEMBL1914630)
Show SMILES Clc1ccc(cc1)C1CCN(CCCC(=O)c2ccc3CCNCCc3c2)CC1
Show InChI InChI=1S/C25H31ClN2O/c26-24-7-5-19(6-8-24)21-11-16-28(17-12-21)15-1-2-25(29)23-4-3-20-9-13-27-14-10-22(20)18-23/h3-8,18,21,27H,1-2,9-17H2
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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(4-19) from human MCHR1 expressed in CHO cells


Bioorg Med Chem 19: 6261-73 (2011)


Article DOI: 10.1016/j.bmc.2011.09.007
BindingDB Entry DOI: 10.7270/Q26T0N2H
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))
BDBM50383090
PNG
(CHEMBL2031730)
Show SMILES Cc1cc2cc(CN3CCCC3)cnc2cc1NC(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H26FN3O/c1-19-14-24-15-20(18-32-12-2-3-13-32)17-30-27(24)16-26(19)31-28(33)23-6-4-21(5-7-23)22-8-10-25(29)11-9-22/h4-11,14-17H,2-3,12-13,18H2,1H3,(H,31,33)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50383111
PNG
(CHEMBL2031732)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1cc2ncc(CN3CCCC3)cc2cc1Cl
Show InChI InChI=1S/C27H23ClFN3O/c28-24-14-22-13-18(17-32-11-1-2-12-32)16-30-25(22)15-26(24)31-27(33)21-5-3-19(4-6-21)20-7-9-23(29)10-8-20/h3-10,13-16H,1-2,11-12,17H2,(H,31,33)
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50351312
PNG
(CHEMBL1818800)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C28H27ClN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


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


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50383110
PNG
(CHEMBL2031731)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1cc2ncc(CN3CCCC3)cc2cc1F
Show InChI InChI=1S/C27H23F2N3O/c28-23-9-7-20(8-10-23)19-3-5-21(6-4-19)27(33)31-26-15-25-22(14-24(26)29)13-18(16-30-25)17-32-11-1-2-12-32/h3-10,13-16H,1-2,11-12,17H2,(H,31,33)
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
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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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))
BDBM50351322
PNG
(CHEMBL1818810)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C29H30N2O/c1-21-4-7-23(8-5-21)24-10-12-25(13-11-24)29(32)30-28-15-14-26-18-22(6-9-27(26)19-28)20-31-16-2-3-17-31/h4-5,7-8,10-15,18-19H,2-3,6,9,16-17,20H2,1H3,(H,30,32)
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n/an/a 1.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


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


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
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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n/an/a 1.70n/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)
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 1.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50383113
PNG
(CHEMBL2031733)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)-c2ccccc2)ccc2cc(CN3CCCC3)cnc12
Show InChI InChI=1S/C28H27N3O/c1-20-26(14-13-25-17-21(18-29-27(20)25)19-31-15-5-6-16-31)30-28(32)24-11-9-23(10-12-24)22-7-3-2-4-8-22/h2-4,7-14,17-18H,5-6,15-16,19H2,1H3,(H,30,32)
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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]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
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))
BDBM50351308
PNG
(CHEMBL1818795)
Show SMILES CN(C)CC1=Cc2ccc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1 |t:4|
Show InChI InChI=1S/C26H25ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-16H,3-4,17H2,1-2H3,(H,28,30)
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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]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
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))
BDBM50351313
PNG
(CHEMBL1818801)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C29H29ClN2O/c30-27-13-10-23(11-14-27)22-6-8-24(9-7-22)29(33)31-28-15-12-25-18-21(4-5-26(25)19-28)20-32-16-2-1-3-17-32/h6-15,18-19H,1-5,16-17,20H2,(H,31,33)
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n/an/a 1.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


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


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
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


(Homo sapiens (Human))
BDBM50351324
PNG
(CHEMBL1818901)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C28H27FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32)
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n/an/a 1.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


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


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50351324
PNG
(CHEMBL1818901)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C28H27FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair
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