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Compile Data Set for Download or QSAR

Found 2640 hits with Last Name = 'fleck' and Initial = 'b'   
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))
BDBM50225589
PNG
((4-(1-((3-fluoro-4-methoxybenzylamino)methyl)cyclo...)
Show SMILES COc1ccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)cc1F
Show InChI InChI=1S/C33H46ClFN4O2/c1-24(2)38-21-28(26-8-10-27(34)11-9-26)29(22-38)32(40)37-15-17-39(18-16-37)33(13-5-4-6-14-33)23-36-20-25-7-12-31(41-3)30(35)19-25/h7-12,19,24,28-29,36H,4-6,13-18,20-23H2,1-3H3/t28-,29+/m1/s1
KEGG

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0.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Displacement of [12]NDPMSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6825-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.032
BindingDB Entry DOI: 10.7270/Q2862G5Z
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221119
PNG
(CHEMBL236521 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C34H47Cl2N5O3/c1-23(2)19-29(37-32(42)12-14-38(4)5)27-20-24(3)8-11-30(27)39-15-17-40(18-16-39)34(44)31(41-13-6-7-33(41)43)21-25-9-10-26(35)22-28(25)36/h8-11,20,22-23,29,31H,6-7,12-19,21H2,1-5H3,(H,37,42)/t29-,31+/m0/s1
KEGG

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0.590n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221119
PNG
(CHEMBL236521 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C34H47Cl2N5O3/c1-23(2)19-29(37-32(42)12-14-38(4)5)27-20-24(3)8-11-30(27)39-15-17-40(18-16-39)34(44)31(41-13-6-7-33(41)43)21-25-9-10-26(35)22-28(25)36/h8-11,20,22-23,29,31H,6-7,12-19,21H2,1-5H3,(H,37,42)/t29-,31+/m0/s1
KEGG

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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4R expressed in HEK293 cells


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50224184
PNG
(1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1C |r|
Show InChI InChI=1S/C31H45ClN4O2/c1-21(2)30(33-29(37)12-13-34(6)7)27-18-22(3)8-11-28(27)35-14-16-36(17-15-35)31(38)24(5)19-25-9-10-26(32)20-23(25)4/h8-11,18,20-21,24,30H,12-17,19H2,1-7H3,(H,33,37)/t24-,30+/m1/s1
KEGG

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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


J Med Chem 50: 5249-52 (2007)


Article DOI: 10.1021/jm070806a
BindingDB Entry DOI: 10.7270/Q29C6X6B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50225589
PNG
((4-(1-((3-fluoro-4-methoxybenzylamino)methyl)cyclo...)
Show SMILES COc1ccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)cc1F
Show InChI InChI=1S/C33H46ClFN4O2/c1-24(2)38-21-28(26-8-10-27(34)11-9-26)29(22-38)32(40)37-15-17-39(18-16-37)33(13-5-4-6-14-33)23-36-20-25-7-12-31(41-3)30(35)19-25/h7-12,19,24,28-29,36H,4-6,13-18,20-23H2,1-3H3/t28-,29+/m1/s1
KEGG

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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse MC4R


Bioorg Med Chem Lett 17: 6825-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.032
BindingDB Entry DOI: 10.7270/Q2862G5Z
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50224184
PNG
(1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1C |r|
Show InChI InChI=1S/C31H45ClN4O2/c1-21(2)30(33-29(37)12-13-34(6)7)27-18-22(3)8-11-28(27)35-14-16-36(17-15-35)31(38)24(5)19-25-9-10-26(32)20-23(25)4/h8-11,18,20-21,24,30H,12-17,19H2,1-7H3,(H,33,37)/t24-,30+/m1/s1
KEGG

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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem 16: 5606-18 (2008)


Article DOI: 10.1016/j.bmc.2008.03.072
BindingDB Entry DOI: 10.7270/Q2TX3F54
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221109
PNG
((R)-2-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C)N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C32H43Cl2N5O3/c1-20(2)16-27(36-31(41)22(4)35)25-17-21(3)7-10-28(25)37-12-14-38(15-13-37)32(42)29(39-11-5-6-30(39)40)18-23-8-9-24(33)19-26(23)34/h7-10,17,19-20,22,27,29H,5-6,11-16,18,35H2,1-4H3,(H,36,41)/t22-,27+,29-/m1/s1
KEGG

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0.710n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50221120
PNG
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1
KEGG

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0.710n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse MC4R


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50221120
PNG
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1
KEGG

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0.710n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
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
KEGG

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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))
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
KEGG

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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))
BDBM50261229
PNG
(1-{2-[(1S)-((2R)-Aminopropionamido)-2-methylpropyl...)
Show SMILES COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(CC1)c1ccc(Cl)cc1[C@@H](NC(=O)[C@@H](C)N)C(C)C |r|
Show InChI InChI=1S/C28H38Cl2N4O3/c1-17(2)26(32-27(35)19(4)31)23-15-21(29)8-9-24(23)33-10-12-34(13-11-33)28(36)18(3)14-20-6-7-22(30)16-25(20)37-5/h6-9,15-19,26H,10-14,31H2,1-5H3,(H,32,35)/t18-,19-,26+/m1/s1
KEGG

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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 human MC4R expressed in HEK293 cells


Bioorg Med Chem 16: 5606-18 (2008)


Article DOI: 10.1016/j.bmc.2008.03.072
BindingDB Entry DOI: 10.7270/Q2TX3F54
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221114
PNG
(1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methy...)
Show SMILES CC(C)C[C@H](NCCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C31H42Cl2FN5O2/c1-21(2)18-27(36-12-5-11-35)24-6-3-7-26(34)30(24)37-14-16-38(17-15-37)31(41)28(39-13-4-8-29(39)40)19-22-9-10-23(32)20-25(22)33/h3,6-7,9-10,20-21,27-28,36H,4-5,8,11-19,35H2,1-2H3/t27-,28+/m0/s1
KEGG

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0.900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221120
PNG
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1
KEGG

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0.900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPMSH from human MC4R expressed in HEK293 cells


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221120
PNG
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1
KEGG

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0.940n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221133
PNG
(1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methy...)
Show SMILES CC(C)C[C@H](NCCCN)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C31H43Cl2N5O2/c1-22(2)19-27(35-13-6-12-34)25-7-3-4-8-28(25)36-15-17-37(18-16-36)31(40)29(38-14-5-9-30(38)39)20-23-10-11-24(32)21-26(23)33/h3-4,7-8,10-11,21-22,27,29,35H,5-6,9,12-20,34H2,1-2H3/t27-,29+/m0/s1
KEGG

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0.950n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50373508
PNG
(CHEMBL404549)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C34H48ClN5O3/c1-22(2)32(37-33(41)24(4)36)28-19-23(3)5-10-31(28)38-13-15-39(16-14-38)34(42)30-21-40(27-11-17-43-18-12-27)20-29(30)25-6-8-26(35)9-7-25/h5-10,19,22,24,27,29-30,32H,11-18,20-21,36H2,1-4H3,(H,37,41)/t24-,29-,30+,32-/m0/s1
KEGG

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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 human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 129-36 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221143
PNG
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Show SMILES CC(C)C[C@H](NCCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C31H40Cl2F3N5O2/c1-20(2)16-26(38-10-9-37)24-18-22(31(34,35)36)6-8-27(24)39-12-14-40(15-13-39)30(43)28(41-11-3-4-29(41)42)17-21-5-7-23(32)19-25(21)33/h5-8,18-20,26,28,38H,3-4,9-17,37H2,1-2H3/t26-,28+/m0/s1
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221128
PNG
(CHEMBL412023 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)
Show SMILES CNCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C32H43Cl2N5O3/c1-21(2)16-27(36-30(40)20-35-4)25-17-22(3)7-10-28(25)37-12-14-38(15-13-37)32(42)29(39-11-5-6-31(39)41)18-23-8-9-24(33)19-26(23)34/h7-10,17,19,21,27,29,35H,5-6,11-16,18,20H2,1-4H3,(H,36,40)/t27-,29+/m0/s1
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
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


(Rattus norvegicus)
BDBM50221120
PNG
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235751
PNG
(CHEMBL255007 | {4-[2-((S)-1-amino-2-methyl-propyl)...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(=O)[C@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C36H44ClN5O2/c1-23(2)33(38)30-20-24(3)8-13-32(30)40-16-18-41(19-17-40)36(44)34-29(25-9-11-28(37)12-10-25)14-15-42(34)35(43)31-21-26-6-4-5-7-27(26)22-39-31/h4-13,20,23,29,31,33-34,39H,14-19,21-22,38H2,1-3H3/t29-,31-,33+,34-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221131
PNG
(3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)CCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C32H40Cl2F3N5O3/c1-20(2)16-26(39-29(43)9-10-38)24-18-22(32(35,36)37)6-8-27(24)40-12-14-41(15-13-40)31(45)28(42-11-3-4-30(42)44)17-21-5-7-23(33)19-25(21)34/h5-8,18-20,26,28H,3-4,9-17,38H2,1-2H3,(H,39,43)/t26-,28+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50261228
PNG
(1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-...)
Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1OC |r|
Show InChI InChI=1S/C28H38Cl2N4O3/c1-18(2)27(32-26(35)17-31-4)23-15-21(29)8-9-24(23)33-10-12-34(13-11-33)28(36)19(3)14-20-6-7-22(30)16-25(20)37-5/h6-9,15-16,18-19,27,31H,10-14,17H2,1-5H3,(H,32,35)/t19-,27+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem 16: 5606-18 (2008)


Article DOI: 10.1016/j.bmc.2008.03.072
BindingDB Entry DOI: 10.7270/Q2TX3F54
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50119366
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Cn1nnc(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)n1
Show InChI InChI=1S/C33H42ClN7O2/c1-40-38-30(37-39-40)21-33(26-9-3-2-4-10-26)15-17-41(18-16-33)32(43)29(19-23-11-13-27(34)14-12-23)36-31(42)28-20-24-7-5-6-8-25(24)22-35-28/h5-8,11-14,26,28-29,35H,2-4,9-10,15-22H2,1H3,(H,36,42)/t28-,29-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as stimulation of cAMP production


J Med Chem 47: 6821-30 (2004)


Article DOI: 10.1021/jm049278i
BindingDB Entry DOI: 10.7270/Q2610ZSQ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50166520
PNG
(1-Cyclopentyl-3-[(R)-1-(2,4-dichloro-benzyl)-2-oxo...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)NC2CCCC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)c(Cl)c1
Show InChI InChI=1S/C32H39Cl2N5O2S/c33-25-12-11-23(28(34)21-25)20-29(37-32(41)36-26-7-2-3-8-26)31(40)39-17-15-38(16-18-39)30-10-4-1-6-24(30)22-35-14-13-27-9-5-19-42-27/h1,4-6,9-12,19,21,26,29,35H,2-3,7-8,13-18,20,22H2,(H2,36,37,41)/t29-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand


Bioorg Med Chem Lett 15: 2541-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50261231
PNG
(1-{2-[(1S)-(Azetidine-3-carboxamido)-2-methylpropy...)
Show SMILES COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(CC1)c1ccc(Cl)cc1[C@@H](NC(=O)C1CNC1)C(C)C |r|
Show InChI InChI=1S/C29H38Cl2N4O3/c1-18(2)27(33-28(36)21-16-32-17-21)24-14-22(30)7-8-25(24)34-9-11-35(12-10-34)29(37)19(3)13-20-5-6-23(31)15-26(20)38-4/h5-8,14-15,18-19,21,27,32H,9-13,16-17H2,1-4H3,(H,33,36)/t19-,27+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem 16: 5606-18 (2008)


Article DOI: 10.1016/j.bmc.2008.03.072
BindingDB Entry DOI: 10.7270/Q2TX3F54
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50166533
PNG
(1-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-t...)
Show SMILES CC(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C30H37Cl2N5O2S/c1-21(2)34-30(39)35-27(18-22-9-10-24(31)19-26(22)32)29(38)37-15-13-36(14-16-37)28-8-4-3-6-23(28)20-33-12-11-25-7-5-17-40-25/h3-10,17,19,21,27,33H,11-16,18,20H2,1-2H3,(H2,34,35,39)/t27-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand


Bioorg Med Chem Lett 15: 2541-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50373512
PNG
(CHEMBL272538)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C36H52ClN5O3/c1-25(2)35(38-34(43)12-15-39(4)5)30-22-26(3)6-11-33(30)40-16-18-41(19-17-40)36(44)32-24-42(29-13-20-45-21-14-29)23-31(32)27-7-9-28(37)10-8-27/h6-11,22,25,29,31-32,35H,12-21,23-24H2,1-5H3,(H,38,43)/t31-,32+,35-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 129-36 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50373512
PNG
(CHEMBL272538)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C36H52ClN5O3/c1-25(2)35(38-34(43)12-15-39(4)5)30-22-26(3)6-11-33(30)40-16-18-41(19-17-40)36(44)32-24-42(29-13-20-45-21-14-29)23-31(32)27-7-9-28(37)10-8-27/h6-11,22,25,29,31-32,35H,12-21,23-24H2,1-5H3,(H,38,43)/t31-,32+,35-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 129-36 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221141
PNG
(CHEMBL397583 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)
Show SMILES CNCCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C33H45Cl2N5O3/c1-22(2)18-28(37-31(41)11-12-36-4)26-19-23(3)7-10-29(26)38-14-16-39(17-15-38)33(43)30(40-13-5-6-32(40)42)20-24-8-9-25(34)21-27(24)35/h7-10,19,21-22,28,30,36H,5-6,11-18,20H2,1-4H3,(H,37,41)/t28-,30+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221145
PNG
(1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methy...)
Show SMILES CC(C)C[C@H](NCCCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C32H42Cl2F3N5O2/c1-21(2)17-27(39-11-4-10-38)25-19-23(32(35,36)37)7-9-28(25)40-13-15-41(16-14-40)31(44)29(42-12-3-5-30(42)43)18-22-6-8-24(33)20-26(22)34/h6-9,19-21,27,29,39H,3-5,10-18,38H2,1-2H3/t27-,29+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50166523
PNG
(CHEMBL195110 | Pyrrolidine-1-carboxylic acid [(R)-...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)N2CCCC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)c(Cl)c1
Show InChI InChI=1S/C31H37Cl2N5O2S/c32-25-10-9-23(27(33)21-25)20-28(35-31(40)38-13-3-4-14-38)30(39)37-17-15-36(16-18-37)29-8-2-1-6-24(29)22-34-12-11-26-7-5-19-41-26/h1-2,5-10,19,21,28,34H,3-4,11-18,20,22H2,(H,35,40)/t28-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand


Bioorg Med Chem Lett 15: 2541-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221115
PNG
(1-((R)-1-(4-(2-((S)-1-((2-aminoethyl)(methyl)amino...)
Show SMILES CC(C)C[C@H](N(C)CCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C31H42Cl2FN5O2/c1-21(2)18-27(36(3)13-11-35)24-6-4-7-26(34)30(24)37-14-16-38(17-15-37)31(41)28(39-12-5-8-29(39)40)19-22-9-10-23(32)20-25(22)33/h4,6-7,9-10,20-21,27-28H,5,8,11-19,35H2,1-3H3/t27-,28+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221121
PNG
(CHEMBL397584 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C33H45Cl2N5O3/c1-23(2)20-28(36-31(41)13-15-37(3)4)26-8-5-6-9-29(26)38-16-18-39(19-17-38)33(43)30(40-14-7-10-32(40)42)21-24-11-12-25(34)22-27(24)35/h5-6,8-9,11-12,22-23,28,30H,7,10,13-21H2,1-4H3,(H,36,41)/t28-,30+/m0/s1
KEGG

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1.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186909
PNG
((R)-N-(1-(4-(2-((2-methoxyphenethylamino)methyl)ph...)
Show SMILES COc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C32H39Cl2N5O3/c1-42-30-9-5-3-6-23(30)13-15-36-22-25-7-2-4-8-29(25)38-16-18-39(19-17-38)32(41)28(37-31(40)12-14-35)20-24-10-11-26(33)21-27(24)34/h2-11,21,28,36H,12-20,22,35H2,1H3,(H,37,40)/t28-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50245535
PNG
(CHEMBL487044 | N-((R)-1-(4-(2-(1-amino-3-methylbut...)
Show SMILES CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1C(N)CC(C)C |r|
Show InChI InChI=1S/C27H37Cl2N5O2/c1-18(2)14-23(30)21-6-4-5-7-25(21)33-10-12-34(13-11-33)27(36)24(32-26(35)17-31-3)15-19-8-9-20(28)16-22(19)29/h4-9,16,18,23-24,31H,10-15,17,30H2,1-3H3,(H,32,35)/t23?,24-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MC4 receptor


Bioorg Med Chem Lett 18: 4817-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.076
BindingDB Entry DOI: 10.7270/Q24T6J75
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50166544
PNG
(1-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-t...)
Show SMILES CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H35Cl2N5O2S/c1-2-33-29(38)34-26(18-21-9-10-23(30)19-25(21)31)28(37)36-15-13-35(14-16-36)27-8-4-3-6-22(27)20-32-12-11-24-7-5-17-39-24/h3-10,17,19,26,32H,2,11-16,18,20H2,1H3,(H2,33,34,38)/t26-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand


Bioorg Med Chem Lett 15: 2541-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527
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))
BDBM50158484
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 |r|
Show InChI InChI=1S/C29H35Cl2N5O2S/c30-23-8-7-21(25(31)19-23)18-26(34-28(37)9-11-32)29(38)36-15-13-35(14-16-36)27-6-2-1-4-22(27)20-33-12-10-24-5-3-17-39-24/h1-8,17,19,26,33H,9-16,18,20,32H2,(H,34,37)/t26-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand


Bioorg Med Chem Lett 15: 2541-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50158484
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 |r|
Show InChI InChI=1S/C29H35Cl2N5O2S/c30-23-8-7-21(25(31)19-23)18-26(34-28(37)9-11-32)29(38)36-15-13-35(14-16-36)27-6-2-1-4-22(27)20-33-12-10-24-5-3-17-39-24/h1-8,17,19,26,33H,9-16,18,20,32H2,(H,34,37)/t26-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MC4 receptor


Bioorg Med Chem Lett 18: 4817-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.076
BindingDB Entry DOI: 10.7270/Q24T6J75
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50158484
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 |r|
Show InChI InChI=1S/C29H35Cl2N5O2S/c30-23-8-7-21(25(31)19-23)18-26(34-28(37)9-11-32)29(38)36-15-13-35(14-16-36)27-6-2-1-4-22(27)20-33-12-10-24-5-3-17-39-24/h1-8,17,19,26,33H,9-16,18,20,32H2,(H,34,37)/t26-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as stimulation of cAMP production


J Med Chem 47: 6821-30 (2004)


Article DOI: 10.1021/jm049278i
BindingDB Entry DOI: 10.7270/Q2610ZSQ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50158484
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 |r|
Show InChI InChI=1S/C29H35Cl2N5O2S/c30-23-8-7-21(25(31)19-23)18-26(34-28(37)9-11-32)29(38)36-15-13-35(14-16-36)27-6-2-1-4-22(27)20-33-12-10-24-5-3-17-39-24/h1-8,17,19,26,33H,9-16,18,20,32H2,(H,34,37)/t26-/m1/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 human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
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))
BDBM50225593
PNG
((4-(1-((2-fluoro-4-methoxybenzylamino)methyl)cyclo...)
Show SMILES COc1ccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)c(F)c1
Show InChI InChI=1S/C33H46ClFN4O2/c1-24(2)38-21-29(25-7-10-27(34)11-8-25)30(22-38)32(40)37-15-17-39(18-16-37)33(13-5-4-6-14-33)23-36-20-26-9-12-28(41-3)19-31(26)35/h7-12,19,24,29-30,36H,4-6,13-18,20-23H2,1-3H3/t29-,30+/m1/s1
KEGG

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1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Displacement of [12]NDPMSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6825-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.032
BindingDB Entry DOI: 10.7270/Q2862G5Z
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221125
PNG
(3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C31H40Cl2FN5O3/c1-20(2)17-26(36-28(40)10-11-35)23-5-3-6-25(34)30(23)37-13-15-38(16-14-37)31(42)27(39-12-4-7-29(39)41)18-21-8-9-22(32)19-24(21)33/h3,5-6,8-9,19-20,26-27H,4,7,10-18,35H2,1-2H3,(H,36,40)/t26-,27+/m0/s1
KEGG

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1.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50245534
PNG
(2-amino-N-((R)-1-(4-(2-(1-amino-3-methylbutyl)phen...)
Show SMILES CC(C)CC(N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN |r|
Show InChI InChI=1S/C26H35Cl2N5O2/c1-17(2)13-22(30)20-5-3-4-6-24(20)32-9-11-33(12-10-32)26(35)23(31-25(34)16-29)14-18-7-8-19(27)15-21(18)28/h3-8,15,17,22-23H,9-14,16,29-30H2,1-2H3,(H,31,34)/t22?,23-/m1/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MC4 receptor


Bioorg Med Chem Lett 18: 4817-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.076
BindingDB Entry DOI: 10.7270/Q24T6J75
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50166534
PNG
(4-Amino-N-[(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-(4-...)
Show SMILES NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C30H37Cl2N5O2S/c31-24-10-9-22(26(32)20-24)19-27(35-29(38)8-3-12-33)30(39)37-16-14-36(15-17-37)28-7-2-1-5-23(28)21-34-13-11-25-6-4-18-40-25/h1-2,4-7,9-10,18,20,27,34H,3,8,11-17,19,21,33H2,(H,35,38)/t27-/m1/s1
KEGG

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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand


Bioorg Med Chem Lett 15: 2541-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221127
PNG
(3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)CCN)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C31H41Cl2N5O3/c1-21(2)18-26(35-29(39)11-12-34)24-6-3-4-7-27(24)36-14-16-37(17-15-36)31(41)28(38-13-5-8-30(38)40)19-22-9-10-23(32)20-25(22)33/h3-4,6-7,9-10,20-21,26,28H,5,8,11-19,34H2,1-2H3,(H,35,39)/t26-,28+/m0/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50166525
PNG
(3-[(R)-1-(2,4-Dichloro-benzyl)-2-oxo-2-(4-{2-[(2-t...)
Show SMILES CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C29H35Cl2N5O2S/c1-34(2)29(38)33-26(18-21-9-10-23(30)19-25(21)31)28(37)36-15-13-35(14-16-36)27-8-4-3-6-22(27)20-32-12-11-24-7-5-17-39-24/h3-10,17,19,26,32H,11-16,18,20H2,1-2H3,(H,33,38)/t26-/m1/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]-NDP-MSH as radioligand


Bioorg Med Chem Lett 15: 2541-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.053
BindingDB Entry DOI: 10.7270/Q22Z1527
More data for this
Ligand-Target Pair
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