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Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'marks' and Initial = 'd'   
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))
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
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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
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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


(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
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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


(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))
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
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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))
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))
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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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))
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))
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))
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))
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))
BDBM50224179
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)cc1F |r|
Show InChI InChI=1S/C30H42ClFN4O2/c1-20(2)29(33-28(37)11-12-34(5)6)25-17-21(3)7-10-27(25)35-13-15-36(16-14-35)30(38)22(4)18-23-8-9-24(31)19-26(23)32/h7-10,17,19-20,22,29H,11-16,18H2,1-6H3,(H,33,37)/t22-,29+/m1/s1
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2.20n/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))
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))
BDBM50226633
PNG
(CHEMBL393584 | N-((1R)-[2-{4-[2R-methyl-3-(2,4-dic...)
Show SMILES CC(C)C[C@@H](NC(=O)CCN(C)C)c1ccc(C)nc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H43Cl2N5O2/c1-20(2)17-27(34-28(38)11-12-35(5)6)25-10-7-22(4)33-29(25)36-13-15-37(16-14-36)30(39)21(3)18-23-8-9-24(31)19-26(23)32/h7-10,19-21,27H,11-18H2,1-6H3,(H,34,38)/t21-,27-/m1/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]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))
BDBM50224185
PNG
(1-{2-[(1S)-(methylaminoacetamido)-2-methylpropyl]-...)
Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r|
Show InChI InChI=1S/C28H38ClFN4O2/c1-18(2)27(32-26(35)17-31-5)23-14-19(3)6-9-25(23)33-10-12-34(13-11-33)28(36)20(4)15-21-7-8-22(29)16-24(21)30/h6-9,14,16,18,20,27,31H,10-13,15,17H2,1-5H3,(H,32,35)/t20-,27+/m1/s1
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2.80n/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 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))
BDBM50224181
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)cc1 |r|
Show InChI InChI=1S/C30H43ClN4O2/c1-21(2)29(32-28(36)13-14-33(5)6)26-19-22(3)7-12-27(26)34-15-17-35(18-16-34)30(37)23(4)20-24-8-10-25(31)11-9-24/h7-12,19,21,23,29H,13-18,20H2,1-6H3,(H,32,36)/t23-,29+/m1/s1
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2.80n/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 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))
BDBM50261196
PNG
(1-{2-[(1S)-(3-Azetidinylcarboxamido)-2-methylpropy...)
Show SMILES COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(CC1)c1c(F)cccc1[C@@H](NC(=O)C1CNC1)C(C)C |r|
Show InChI InChI=1S/C29H38ClFN4O3/c1-18(2)26(33-28(36)21-16-32-17-21)23-6-5-7-24(31)27(23)34-10-12-35(13-11-34)29(37)19(3)14-20-8-9-22(30)15-25(20)38-4/h5-9,15,18-19,21,26,32H,10-14,16-17H2,1-4H3,(H,33,36)/t19-,26+/m1/s1
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3.10n/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))
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))
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))
BDBM50261230
PNG
(1-{2-[(1S)-(3-Dimethylaminopropionamino)-2-methylp...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H40Cl2N4O2/c1-20(2)28(32-27(36)12-13-33(4)5)25-19-24(31)10-11-26(25)34-14-16-35(17-15-34)29(37)21(3)18-22-6-8-23(30)9-7-22/h6-11,19-21,28H,12-18H2,1-5H3,(H,32,36)/t21-,28+/m1/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 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))
BDBM50261227
PNG
(1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-...)
Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1OC |r|
Show InChI InChI=1S/C28H38ClFN4O3/c1-18(2)26(32-25(35)17-31-4)22-7-6-8-23(30)27(22)33-11-13-34(14-12-33)28(36)19(3)15-20-9-10-21(29)16-24(20)37-5/h6-10,16,18-19,26,31H,11-15,17H2,1-5H3,(H,32,35)/t19-,26+/m1/s1
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3.40n/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))
BDBM50226629
PNG
(CHEMBL266647 | N-(1S-[2-{4-[(2R)-methyl-3-(4-chlor...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C30H42Cl2N4O2/c1-21(2)18-27(33-29(37)12-13-34(4)5)26-20-25(32)10-11-28(26)35-14-16-36(17-15-35)30(38)22(3)19-23-6-8-24(31)9-7-23/h6-11,20-22,27H,12-19H2,1-5H3,(H,33,37)/t22-,27+/m1/s1
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3.40n/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


(Mus musculus)
BDBM50261195
PNG
(1-{2-[(1S)-(3-Dimethylaminopropionamino)-2-methylp...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H40ClFN4O2/c1-20(2)27(32-26(36)13-14-33(4)5)24-7-6-8-25(31)28(24)34-15-17-35(18-16-34)29(37)21(3)19-22-9-11-23(30)12-10-22/h6-12,20-21,27H,13-19H2,1-5H3,(H,32,36)/t21-,27+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse MC4R


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))
BDBM50226631
PNG
(CHEMBL235556 | N-(1S-[2-{4-[(2R)-methyl-3-(4-chlor...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C31H45ClN4O2/c1-22(2)19-28(33-30(37)13-14-34(5)6)27-20-23(3)7-12-29(27)35-15-17-36(18-16-35)31(38)24(4)21-25-8-10-26(32)11-9-25/h7-12,20,22,24,28H,13-19,21H2,1-6H3,(H,33,37)/t24-,28+/m1/s1
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3.70n/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))
BDBM50261197
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)cc1 |r|
Show InChI InChI=1S/C27H36Cl2N4O2/c1-18(2)26(31-25(34)17-30-4)23-16-22(29)9-10-24(23)32-11-13-33(14-12-32)27(35)19(3)15-20-5-7-21(28)8-6-20/h5-10,16,18-19,26,30H,11-15,17H2,1-4H3,(H,31,34)/t19-,26+/m1/s1
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4.10n/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))
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


(Homo sapiens (Human))
BDBM50261194
PNG
(1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-...)
Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C27H35Cl2FN4O2/c1-17(2)25(32-24(35)16-31-4)21-6-5-7-23(30)26(21)33-10-12-34(13-11-33)27(36)18(3)14-19-8-9-20(28)15-22(19)29/h5-9,15,17-18,25,31H,10-14,16H2,1-4H3,(H,32,35)/t18-,25+/m1/s1
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5.30n/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))
BDBM50261199
PNG
(1-{2-[(1S)-(1-Methyl-3-azetadinylcarbonyl)-amino-2...)
Show SMILES CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H38Cl2N4O2/c1-19(2)27(32-28(36)22-17-33(4)18-22)25-16-24(31)9-10-26(25)34-11-13-35(14-12-34)29(37)20(3)15-21-5-7-23(30)8-6-21/h5-10,16,19-20,22,27H,11-15,17-18H2,1-4H3,(H,32,36)/t20-,27+/m1/s1
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5.40n/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


(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


(Rattus norvegicus)
BDBM50261195
PNG
(1-{2-[(1S)-(3-Dimethylaminopropionamino)-2-methylp...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H40ClFN4O2/c1-20(2)27(32-26(36)13-14-33(4)5)24-7-6-8-25(31)28(24)34-15-17-35(18-16-34)29(37)21(3)19-22-9-11-23(30)12-10-22/h6-12,20-21,27H,13-19H2,1-5H3,(H,32,36)/t21-,27+/m1/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 at rat MC4R


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))
BDBM50224183
PNG
(1-{2-[(1S)-(methylaminopropionyl)amino-2-methylpro...)
Show SMILES CNCCC(=O)N[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H41ClN4O2/c1-20(2)28(32-27(35)12-13-31-5)25-18-21(3)6-11-26(25)33-14-16-34(17-15-33)29(36)22(4)19-23-7-9-24(30)10-8-23/h6-11,18,20,22,28,31H,12-17,19H2,1-5H3,(H,32,35)/t22-,28+/m1/s1
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5.70n/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))
BDBM50224177
PNG
(1-{2-[(1S)-(aminopropionyl)amino-2-methylpropyl]-4...)
Show SMILES CC(C)[C@H](NC(=O)CCN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H39ClN4O2/c1-19(2)27(31-26(34)11-12-30)24-17-20(3)5-10-25(24)32-13-15-33(16-14-32)28(35)21(4)18-22-6-8-23(29)9-7-22/h5-10,17,19,21,27H,11-16,18,30H2,1-4H3,(H,31,34)/t21-,27+/m1/s1
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5.90n/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))
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))
BDBM50224178
PNG
((R)-3-(4-chloro-2-fluorophenyl)-2-methyl-1-(4-(4-m...)
Show SMILES CNCCN[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r|
Show InChI InChI=1S/C28H40ClFN4O/c1-19(2)27(32-11-10-31-5)24-16-20(3)6-9-26(24)33-12-14-34(15-13-33)28(35)21(4)17-22-7-8-23(29)18-25(22)30/h6-9,16,18-19,21,27,31-32H,10-15,17H2,1-5H3/t21-,27+/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 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))
BDBM50226634
PNG
(CHEMBL236979 | N-((1R)-[2-{4-[2R-methyl-3-(2,4-dic...)
Show SMILES CC(C)C[C@@H](NC(=O)CN)c1cccnc1N1CCN(CC1)C(=O)C(C)Cc1ccc(Cl)cc1Cl |w:24.26|
Show InChI InChI=1S/C26H35Cl2N5O2/c1-17(2)13-23(31-24(34)16-29)21-5-4-8-30-25(21)32-9-11-33(12-10-32)26(35)18(3)14-19-6-7-20(27)15-22(19)28/h4-8,15,17-18,23H,9-14,16,29H2,1-3H3,(H,31,34)/t18?,23-/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]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))
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))
BDBM50261195
PNG
(1-{2-[(1S)-(3-Dimethylaminopropionamino)-2-methylp...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H40ClFN4O2/c1-20(2)27(32-26(36)13-14-33(4)5)24-7-6-8-25(31)28(24)34-15-17-35(18-16-34)29(37)21(3)19-22-9-11-23(30)12-10-22/h6-12,20-21,27H,13-19H2,1-5H3,(H,32,36)/t21-,27+/m1/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 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))
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))
BDBM50224180
PNG
((R)-1-(4-(2-((S)-1-amino-2-methylpropyl)-4-methylp...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1C |r|
Show InChI InChI=1S/C26H36ClN3O/c1-17(2)25(28)23-14-18(3)6-9-24(23)29-10-12-30(13-11-29)26(31)20(5)15-21-7-8-22(27)16-19(21)4/h6-9,14,16-17,20,25H,10-13,15,28H2,1-5H3/t20-,25+/m1/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 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))
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))
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]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))
BDBM50261226
PNG
(1-{2-[(1S)-(Methylaminoacetamido)-2-methylpropyl]-...)
Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H36ClFN4O2/c1-18(2)25(31-24(34)17-30-4)22-6-5-7-23(29)26(22)32-12-14-33(15-13-32)27(35)19(3)16-20-8-10-21(28)11-9-20/h5-11,18-19,25,30H,12-17H2,1-4H3,(H,31,34)/t19-,25+/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 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))
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
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