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14 similar compounds to monomer 50383090

Compile data set for download or QSAR
Wt: 425.4
BDBM50383093
Wt: 407.5
BDBM50383094
Wt: 441.9
BDBM50383096
Wt: 426.4
BDBM50383097
Wt: 443.4
BDBM50383107
Wt: 453.5
BDBM50383109
Wt: 443.4
BDBM50383110
Wt: 459.9
BDBM50383111
Wt: 439.5
BDBM50383112
Wt: 421.5
BDBM50383113
Wt: 451.5
BDBM50383114
Wt: 435.5
BDBM50383115
Wt: 455.9
BDBM50383116
Wt: 421.5
BDBM50383088

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50383093,50383094,50383096,50383097,50383107,50383109,50383110,50383111,50383112,50383113,50383114,50383115,50383116,50383088   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50383088
PNG
(CHEMBL2031715)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Show InChI InChI=1S/C28H27N3O/c1-20-4-6-22(7-5-20)23-8-10-24(11-9-23)28(32)30-26-13-12-25-16-21(18-29-27(25)17-26)19-31-14-2-3-15-31/h4-13,16-18H,2-3,14-15,19H2,1H3,(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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50383094
PNG
(CHEMBL2031577)
Show SMILES O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H25N3O/c31-27(23-10-8-22(9-11-23)21-6-2-1-3-7-21)29-25-13-12-24-16-20(18-28-26(24)17-25)19-30-14-4-5-15-30/h1-3,6-13,16-18H,4-5,14-15,19H2,(H,29,31)
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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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50383097
PNG
(CHEMBL2031717)
Show SMILES Fc1ccc(cc1)-c1ccc(cn1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Show InChI InChI=1S/C26H23FN4O/c27-22-7-3-19(4-8-22)24-10-6-21(16-29-24)26(32)30-23-9-5-20-13-18(15-28-25(20)14-23)17-31-11-1-2-12-31/h3-10,13-16H,1-2,11-12,17H2,(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
Melanin-concentrating hormone receptor


(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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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


(Homo sapiens (Human))
BDBM50383109
PNG
(CHEMBL2031729)
Show SMILES CCc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12
Show InChI InChI=1S/C29H28FN3O/c1-2-26-27(14-11-24-17-20(18-31-28(24)26)19-33-15-3-4-16-33)32-29(34)23-7-5-21(6-8-23)22-9-12-25(30)13-10-22/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,34)
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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
Melanin-concentrating hormone receptor


(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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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


(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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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


(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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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


(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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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


(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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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


(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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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


(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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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


(Homo sapiens (Human))
BDBM50383093
PNG
(CHEMBL2031576)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Show InChI InChI=1S/C27H24FN3O/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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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced [3H]arachidonic acid release after 16 hrs by liquid s...


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


(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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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced [3H]arachidonic acid release after 16 hrs by liquid s...


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


(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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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced [3H]arachidonic acid release after 16 hrs by liquid s...


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


(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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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced [3H]arachidonic acid release after 16 hrs by liquid s...


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


(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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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced [3H]arachidonic acid release after 16 hrs by liquid s...


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


(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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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced [3H]arachidonic acid release after 16 hrs by liquid s...


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


(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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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced [3H]arachidonic acid release after 16 hrs by liquid s...


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


(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 4.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced [3H]arachidonic acid release after 16 hrs by liquid s...


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


(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 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced [3H]arachidonic acid release after 16 hrs by liquid s...


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


(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 7.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced [3H]arachidonic acid release after 16 hrs by liquid s...


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))
BDBM50383093
PNG
(CHEMBL2031576)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Show InChI InChI=1S/C27H24FN3O/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 160n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50383094
PNG
(CHEMBL2031577)
Show SMILES O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H25N3O/c31-27(23-10-8-22(9-11-23)21-6-2-1-3-7-21)29-25-13-12-24-16-20(18-28-26(24)17-25)19-30-14-4-5-15-30/h1-3,6-13,16-18H,4-5,14-15,19H2,(H,29,31)
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n/an/a 310n/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
5-hydroxytryptamine receptor 2C


(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 630n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50383097
PNG
(CHEMBL2031717)
Show SMILES Fc1ccc(cc1)-c1ccc(cn1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Show InChI InChI=1S/C26H23FN4O/c27-22-7-3-19(4-8-22)24-10-6-21(16-29-24)26(32)30-23-9-5-20-13-18(15-28-25(20)14-23)17-31-11-1-2-12-31/h3-10,13-16H,1-2,11-12,17H2,(H,30,32)
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n/an/a 830n/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
5-hydroxytryptamine receptor 2C


(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 78n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50383109
PNG
(CHEMBL2031729)
Show SMILES CCc1c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)ccc2cc(CN3CCCC3)cnc12
Show InChI InChI=1S/C29H28FN3O/c1-2-26-27(14-11-24-17-20(18-31-28(24)26)19-33-15-3-4-16-33)32-29(34)23-7-5-21(6-8-23)22-9-12-25(30)13-10-22/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,34)
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n/an/a>1.00E+3n/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
5-hydroxytryptamine receptor 2C


(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 280n/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
5-hydroxytryptamine receptor 2C


(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 240n/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
5-hydroxytryptamine receptor 2C


(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>1.00E+3n/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
5-hydroxytryptamine receptor 2C


(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 760n/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
5-hydroxytryptamine receptor 2C


(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>1.00E+3n/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
5-hydroxytryptamine receptor 2C


(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 540n/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
5-hydroxytryptamine receptor 2C


(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>1.00E+3n/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
GPR24


(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
GPR24


(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


(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 2.80n/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


(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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50383088
PNG
(CHEMBL2031715)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Show InChI InChI=1S/C28H27N3O/c1-20-4-6-22(7-5-20)23-8-10-24(11-9-23)28(32)30-26-13-12-25-16-21(18-29-27(25)17-26)19-31-14-2-3-15-31/h4-13,16-18H,2-3,14-15,19H2,1H3,(H,30,32)
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PubMed
n/an/a 660n/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


(Homo sapiens (Human))
BDBM50383093
PNG
(CHEMBL2031576)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
Show InChI InChI=1S/C27H24FN3O/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 2.80n/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
Melanin-concentrating hormone receptor


(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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PubMed
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