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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50020507   
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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214682
PNG
(1-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trifluorome...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CCNCC1)C(F)(F)F
Show InChI InChI=1S/C31H40Cl2F3N5O2/c1-19(2)15-26(37)24-17-22(31(34,35)36)4-6-28(24)40-11-13-41(14-12-40)30(43)27(16-21-3-5-23(32)18-25(21)33)39-29(42)20-7-9-38-10-8-20/h3-6,17-20,26-27,38H,7-16,37H2,1-2H3,(H,39,42)/t26-,27+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214688
PNG
(1-{4-[(1R)-2-(amino-3-methylbutyl)-6-fluorophenyl]...)
Show SMILES CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C27H36Cl2FN5O2/c1-17(2)14-23(32)20-4-3-5-22(30)26(20)34-10-12-35(13-11-34)27(37)24(33-25(36)8-9-31)15-18-6-7-19(28)16-21(18)29/h3-7,16-17,23-24H,8-15,31-32H2,1-2H3,(H,33,36)/t23-,24+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214704
PNG
(1-{4-[(1S)-2-(amino-3-methylbutyl)-4-fluorophenyl]...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN)C(F)(F)F
Show InChI InChI=1S/C28H36Cl2F3N5O2/c1-17(2)13-23(35)21-15-19(28(31,32)33)4-6-25(21)37-9-11-38(12-10-37)27(40)24(36-26(39)7-8-34)14-18-3-5-20(29)16-22(18)30/h3-6,15-17,23-24H,7-14,34-35H2,1-2H3,(H,36,39)/t23-,24+/m0/s1
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214695
PNG
(1-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trifluorome...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(C)=O)C(F)(F)F
Show InChI InChI=1S/C27H33Cl2F3N4O2/c1-16(2)12-23(33)21-14-19(27(30,31)32)5-7-25(21)35-8-10-36(11-9-35)26(38)24(34-17(3)37)13-18-4-6-20(28)15-22(18)29/h4-7,14-16,23-24H,8-13,33H2,1-3H3,(H,34,37)/t23-,24+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214689
PNG
(1-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trifluorome...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN)C(F)(F)F
Show InChI InChI=1S/C27H34Cl2F3N5O2/c1-16(2)11-22(34)20-13-18(27(30,31)32)4-6-24(20)36-7-9-37(10-8-36)26(39)23(35-25(38)15-33)12-17-3-5-19(28)14-21(17)29/h3-6,13-14,16,22-23H,7-12,15,33-34H2,1-2H3,(H,35,38)/t22-,23+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214703
PNG
(1-{4-[(1R)-2-(amino-3-methylbutyl)-6-fluorophenyl]...)
Show SMILES CC(C)C[C@@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C27H36Cl2FN5O2/c1-17(2)14-23(32)20-4-3-5-22(30)26(20)34-10-12-35(13-11-34)27(37)24(33-25(36)8-9-31)15-18-6-7-19(28)16-21(18)29/h3-7,16-17,23-24H,8-15,31-32H2,1-2H3,(H,33,36)/t23-,24-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214679
PNG
(1-{4-[(1S)-2-(amino-3-methylbutyl)-6-trifluorometh...)
Show SMILES CC(C)C[C@H](N)c1cccc(c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN)C(F)(F)F
Show InChI InChI=1S/C28H36Cl2F3N5O2/c1-17(2)14-23(35)20-4-3-5-21(28(31,32)33)26(20)37-10-12-38(13-11-37)27(40)24(36-25(39)8-9-34)15-18-6-7-19(29)16-22(18)30/h3-7,16-17,23-24H,8-15,34-35H2,1-2H3,(H,36,39)/t23-,24+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214691
PNG
(1-{4-[(1S)-2-(1-amino-3-methylbutyl)-6-trifluorome...)
Show SMILES CC(C)C[C@H](N)c1cccc(c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN)C(F)(F)F
Show InChI InChI=1S/C27H34Cl2F3N5O2/c1-16(2)12-22(34)19-4-3-5-20(27(30,31)32)25(19)36-8-10-37(11-9-36)26(39)23(35-24(38)15-33)13-17-6-7-18(28)14-21(17)29/h3-7,14,16,22-23H,8-13,15,33-34H2,1-2H3,(H,35,38)/t22-,23+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214700
PNG
(1-{4-[(1S)-2-(1-amino-3-methylbutyl)-6-fluoropheny...)
Show SMILES CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN
Show InChI InChI=1S/C26H34Cl2FN5O2/c1-16(2)12-22(31)19-4-3-5-21(29)25(19)33-8-10-34(11-9-33)26(36)23(32-24(35)15-30)13-17-6-7-18(27)14-20(17)28/h3-7,14,16,22-23H,8-13,15,30-31H2,1-2H3,(H,32,35)/t22-,23+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214696
PNG
(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H35Cl2F3N4O2/c1-18(2)14-24(35)22-16-20(29(32,33)34)6-8-25(22)36-10-12-37(13-11-36)28(40)26(38-9-3-4-27(38)39)15-19-5-7-21(30)17-23(19)31/h5-8,16-18,24,26H,3-4,9-15,35H2,1-2H3/t24-,26+/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214681
PNG
(1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trif...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36Cl2F3N5O2/c1-18(2)13-24(35)22-15-20(29(32,33)34)4-6-25(22)37-9-11-38(12-10-37)28(41)26(39-8-7-36-17-27(39)40)14-19-3-5-21(30)16-23(19)31/h3-6,15-16,18,24,26,36H,7-14,17,35H2,1-2H3/t24-,26+/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50214685
PNG
(1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifl...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26+/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Binding affinity to C57BL/6J mouse MC4 receptor


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214692
PNG
(1-{4-[(1R)-2-(1-amino-3-methylbutyl)-6-fluoropheny...)
Show SMILES CC(C)C[C@@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(C)=O
Show InChI InChI=1S/C26H33Cl2FN4O2/c1-16(2)13-23(30)20-5-4-6-22(29)25(20)32-9-11-33(12-10-32)26(35)24(31-17(3)34)14-18-7-8-19(27)15-21(18)28/h4-8,15-16,23-24H,9-14,30H2,1-3H3,(H,31,34)/t23-,24-/m1/s1
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6n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214701
PNG
(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)phenyl)p...)
Show SMILES CC(C)C[C@H](N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C28H36Cl2N4O2/c1-19(2)16-24(31)22-6-3-4-7-25(22)32-12-14-33(15-13-32)28(36)26(34-11-5-8-27(34)35)17-20-9-10-21(29)18-23(20)30/h3-4,6-7,9-10,18-19,24,26H,5,8,11-17,31H2,1-2H3/t24-,26+/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214698
PNG
(1-{4-[(1R)-2-(1-amino-3-methylbutyl)-6-fluoropheny...)
Show SMILES CC(C)C[C@@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN
Show InChI InChI=1S/C26H34Cl2FN5O2/c1-16(2)12-22(31)19-4-3-5-21(29)25(19)33-8-10-34(11-9-33)26(36)23(32-24(35)15-30)13-17-6-7-18(27)14-20(17)28/h3-7,14,16,22-23H,8-13,15,30-31H2,1-2H3,(H,32,35)/t22-,23-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214684
PNG
(1-{4-[(1S)-2-(1-amino-3-methylbutyl)-6-fluoropheny...)
Show SMILES CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(C)=O
Show InChI InChI=1S/C26H33Cl2FN4O2/c1-16(2)13-23(30)20-5-4-6-22(29)25(20)32-9-11-33(12-10-32)26(35)24(31-17(3)34)14-18-7-8-19(27)15-21(18)28/h4-8,15-16,23-24H,9-14,30H2,1-3H3,(H,31,34)/t23-,24+/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214699
PNG
(1-[(S)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifl...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)
BDBM50214685
PNG
(1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifl...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26+/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Binding affinity to rat MC4 receptor


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214697
PNG
((1S)-(2-{4-[(2R)-(2-oxo-1-pyrrolidinyl)-3-(2,4-dic...)
Show SMILES CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C28H35Cl2FN4O2/c1-18(2)15-24(32)21-5-3-6-23(31)27(21)33-11-13-34(14-12-33)28(37)25(35-10-4-7-26(35)36)16-19-8-9-20(29)17-22(19)30/h3,5-6,8-9,17-18,24-25H,4,7,10-16,32H2,1-2H3/t24-,25+/m0/s1
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9.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214702
PNG
(1-{4-[(1R)-2-(amino-3-methylbutyl)-4-fluorophenyl]...)
Show SMILES CC(C)C[C@@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN)C(F)(F)F
Show InChI InChI=1S/C28H36Cl2F3N5O2/c1-17(2)13-23(35)21-15-19(28(31,32)33)4-6-25(21)37-9-11-38(12-10-37)27(40)24(36-26(39)7-8-34)14-18-3-5-20(29)16-22(18)30/h3-6,15-17,23-24H,7-14,34-35H2,1-2H3,(H,36,39)/t23-,24-/m1/s1
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10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214685
PNG
(1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifl...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26+/m0/s1
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214686
PNG
(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-fluor...)
Show SMILES CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C28H35Cl2FN4O2/c1-18(2)14-24(32)22-17-21(31)7-8-25(22)33-10-12-34(13-11-33)28(37)26(35-9-3-4-27(35)36)15-19-5-6-20(29)16-23(19)30/h5-8,16-18,24,26H,3-4,9-15,32H2,1-2H3/t24-,26+/m0/s1
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26n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214680
PNG
(1-{4-[(1R)-2-(1-amino-3-methylbutyl)-4-fluoropheny...)
Show SMILES CC(C)C[C@@H](N)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(C)=O
Show InChI InChI=1S/C26H33Cl2FN4O2/c1-16(2)12-23(30)21-15-20(29)6-7-25(21)32-8-10-33(11-9-32)26(35)24(31-17(3)34)13-18-4-5-19(27)14-22(18)28/h4-7,14-16,23-24H,8-13,30H2,1-3H3,(H,31,34)/t23-,24-/m1/s1
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26n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214683
PNG
(1-{4-[(1R)-2-(amino-3-methylbutyl)-6-trifluorometh...)
Show SMILES CC(C)C[C@@H](N)c1cccc(c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN)C(F)(F)F
Show InChI InChI=1S/C28H36Cl2F3N5O2/c1-17(2)14-23(35)20-4-3-5-21(28(31,32)33)26(20)37-10-12-38(13-11-37)27(40)24(36-25(39)8-9-34)15-18-6-7-19(29)16-22(18)30/h3-7,16-17,23-24H,8-15,34-35H2,1-2H3,(H,36,39)/t23-,24-/m1/s1
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29n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214687
PNG
(1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)phenyl]-...)
Show SMILES CC(C)C[C@H](N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCC1=O
Show InChI InChI=1S/C28H37ClN4O2/c1-20(2)18-24(30)23-6-3-4-7-25(23)31-14-16-32(17-15-31)28(35)26(33-13-5-8-27(33)34)19-21-9-11-22(29)12-10-21/h3-4,6-7,9-12,20,24,26H,5,8,13-19,30H2,1-2H3/t24-,26+/m0/s1
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38n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214694
PNG
((R)-2-amino-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C25H31Cl2F3N4O/c1-15(2)11-21(31)19-13-17(25(28,29)30)4-6-23(19)33-7-9-34(10-8-33)24(35)22(32)12-16-3-5-18(26)14-20(16)27/h3-6,13-15,21-22H,7-12,31-32H2,1-2H3/t21-,22+/m0/s1
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39n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214693
PNG
(1-{4-[(1R)-2-(1-amino-3-methylbutyl)-6-trifluorome...)
Show SMILES CC(C)C[C@@H](N)c1cccc(c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(C)=O)C(F)(F)F
Show InChI InChI=1S/C27H33Cl2F3N4O2/c1-16(2)13-23(33)20-5-4-6-21(27(30,31)32)25(20)35-9-11-36(12-10-35)26(38)24(34-17(3)37)14-18-7-8-19(28)15-22(18)29/h4-8,15-16,23-24H,9-14,33H2,1-3H3,(H,34,37)/t23-,24-/m1/s1
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47n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214690
PNG
(2-amino-N-((R)-1-(4-(2-((R)-1-amino-3-methylbutyl)...)
Show SMILES CC(C)C[C@@H](N)c1cccc(c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN)C(F)(F)F
Show InChI InChI=1S/C27H34Cl2F3N5O2/c1-16(2)12-22(34)19-4-3-5-20(27(30,31)32)25(19)36-8-10-37(11-9-36)26(39)23(35-24(38)15-33)13-17-6-7-18(28)14-21(17)29/h3-7,14,16,22-23H,8-13,15,33-34H2,1-2H3,(H,35,38)/t22-,23-/m1/s1
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49n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50214688
PNG
(1-{4-[(1R)-2-(amino-3-methylbutyl)-6-fluorophenyl]...)
Show SMILES CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C27H36Cl2FN5O2/c1-17(2)14-23(32)20-4-3-5-22(30)26(20)34-10-12-35(13-11-34)27(37)24(33-25(36)8-9-31)15-18-6-7-19(28)16-21(18)29/h3-7,16-17,23-24H,8-15,31-32H2,1-2H3,(H,33,36)/t23-,24+/m0/s1
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240n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC5R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50214696
PNG
(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H35Cl2F3N4O2/c1-18(2)14-24(35)22-16-20(29(32,33)34)6-8-25(22)36-10-12-37(13-11-36)28(40)26(38-9-3-4-27(38)39)15-19-5-7-21(30)17-23(19)31/h5-8,16-18,24,26H,3-4,9-15,35H2,1-2H3/t24-,26+/m0/s1
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250n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC5R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50214681
PNG
(1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trif...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36Cl2F3N5O2/c1-18(2)13-24(35)22-15-20(29(32,33)34)4-6-25(22)37-9-11-38(12-10-37)28(41)26(39-8-7-36-17-27(39)40)14-19-3-5-21(30)16-23(19)31/h3-6,15-16,18,24,26,36H,7-14,17,35H2,1-2H3/t24-,26+/m0/s1
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360n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC5R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50214688
PNG
(1-{4-[(1R)-2-(amino-3-methylbutyl)-6-fluorophenyl]...)
Show SMILES CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C27H36Cl2FN5O2/c1-17(2)14-23(32)20-4-3-5-22(30)26(20)34-10-12-35(13-11-34)27(37)24(33-25(36)8-9-31)15-18-6-7-19(28)16-21(18)29/h3-7,16-17,23-24H,8-15,31-32H2,1-2H3,(H,33,36)/t23-,24+/m0/s1
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450n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC3R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50214696
PNG
(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trif...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H35Cl2F3N4O2/c1-18(2)14-24(35)22-16-20(29(32,33)34)6-8-25(22)36-10-12-37(13-11-36)28(40)26(38-9-3-4-27(38)39)15-19-5-7-21(30)17-23(19)31/h5-8,16-18,24,26H,3-4,9-15,35H2,1-2H3/t24-,26+/m0/s1
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640n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC3R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50214681
PNG
(1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trif...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36Cl2F3N5O2/c1-18(2)13-24(35)22-15-20(29(32,33)34)4-6-25(22)37-9-11-38(12-10-37)28(41)26(39-8-7-36-17-27(39)40)14-19-3-5-21(30)16-23(19)31/h3-6,15-16,18,24,26,36H,7-14,17,35H2,1-2H3/t24-,26+/m0/s1
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950n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC3R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50214685
PNG
(1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifl...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26+/m0/s1
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990n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC5R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50214685
PNG
(1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifl...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26+/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC3R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214681
PNG
(1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trif...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36Cl2F3N5O2/c1-18(2)13-24(35)22-15-20(29(32,33)34)4-6-25(22)37-9-11-38(12-10-37)28(41)26(39-8-7-36-17-27(39)40)14-19-3-5-21(30)16-23(19)31/h3-6,15-16,18,24,26,36H,7-14,17,35H2,1-2H3/t24-,26+/m0/s1
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KEGG

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n/an/a 210n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor in HEK293 cells assesed as inhibition of alpha-MSH stimulated cAMP production


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214685
PNG
(1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifl...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26+/m0/s1
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KEGG

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n/an/a 510n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor in HEK293 cells assesed as inhibition of alpha-MSH stimulated cAMP production


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50214685
PNG
(1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifl...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26+/m0/s1
PDB

Reactome pathway
KEGG

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n/an/an/an/a 4.10E+3n/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Agonist activity at ghrelin receptor


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair