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Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) with all data for entry = 50025979   
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))
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
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))
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
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))
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
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
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))
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
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))
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
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))
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
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))
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
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
KEGG

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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))
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
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
KEGG

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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
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
KEGG

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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


(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
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
KEGG

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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))
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
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
KEGG

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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))
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
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
KEGG

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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
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
KEGG

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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


(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
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
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
KEGG

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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
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
KEGG

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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))
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
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))
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
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))
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
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))
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
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 5 (MC5R)


(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
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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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC5R 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))
BDBM50261225
PNG
(1-{2-[(1S)-(Methylaminoethyl)amino-2-methylpropyl]...)
Show SMILES CNCCN[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C27H38ClFN4O/c1-19(2)25(31-13-12-30-4)23-6-5-7-24(29)26(23)32-14-16-33(17-15-32)27(34)20(3)18-21-8-10-22(28)11-9-21/h5-11,19-20,25,30-31H,12-18H2,1-4H3/t20-,25+/m1/s1
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23n/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))
BDBM50261200
PNG
(1-{2-[(1S)-(3-Dimethylaminopropionyl) amino-2-meth...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C29H41ClN4O2/c1-21(2)28(31-27(35)14-15-32(4)5)25-8-6-7-9-26(25)33-16-18-34(19-17-33)29(36)22(3)20-23-10-12-24(30)13-11-23/h6-13,21-22,28H,14-20H2,1-5H3,(H,31,35)/t22-,28+/m1/s1
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24n/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))
BDBM50261223
PNG
(1-{2-[(1S)-Amino-2-methylpropyl]-6-fluorophenyl}-4...)
Show SMILES COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(CC1)c1c(F)cccc1[C@@H](N)C(C)C
Show InChI InChI=1S/C25H33ClFN3O2/c1-16(2)23(28)20-6-5-7-21(27)24(20)29-10-12-30(13-11-29)25(31)17(3)14-18-8-9-19(26)15-22(18)32-4/h5-9,15-17,23H,10-14,28H2,1-4H3/t17-,23+/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 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))
BDBM50261224
PNG
(1-{2-[(1S)-Amino-2-methylpropyl]-6-fluorophenyl}-4...)
Show SMILES CC(C)[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H30Cl2FN3O/c1-15(2)22(28)19-5-4-6-21(27)23(19)29-9-11-30(12-10-29)24(31)16(3)13-17-7-8-18(25)14-20(17)26/h4-8,14-16,22H,9-13,28H2,1-3H3/t16-,22+/m1/s1
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27n/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 5 (MC5R)


(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
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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34n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC5R 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))
BDBM50224186
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)cc1F
Show InChI InChI=1S/C25H33ClFN3O/c1-16(2)24(28)21-13-17(3)5-8-23(21)29-9-11-30(12-10-29)25(31)18(4)14-19-6-7-20(26)15-22(19)27/h5-8,13,15-16,18,24H,9-12,14,28H2,1-4H3/t18-,24+/m1/s1
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35n/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 5 (MC5R)


(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
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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67n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC5R 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))
BDBM50224182
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)cc1
Show InChI InChI=1S/C25H34ClN3O/c1-17(2)24(27)22-15-18(3)5-10-23(22)28-11-13-29(14-12-28)25(30)19(4)16-20-6-8-21(26)9-7-20/h5-10,15,17,19,24H,11-14,16,27H2,1-4H3/t19-,24+/m1/s1
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69n/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))
BDBM50261190
PNG
(1-{2-[(1S)-Amino-2-methylpropyl]-6-fluorophenyl}-4...)
Show SMILES CC(C)[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H31ClFN3O/c1-16(2)22(27)20-5-4-6-21(26)23(20)28-11-13-29(14-12-28)24(30)17(3)15-18-7-9-19(25)10-8-18/h4-10,16-17,22H,11-15,27H2,1-3H3/t17-,22+/m1/s1
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83n/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 5 (MC5R)


(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
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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110n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC5R 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 3 (MC3R)


(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
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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160n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC3R 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 5 (MC5R)


(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
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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180n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC5R 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))
BDBM50261193
PNG
(1-{2-[(1S)-Amino-2-methylpropyl]phenyl}-4-[(2R)-me...)
Show SMILES CC(C)[C@H](N)c1ccccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN3O/c1-17(2)23(26)21-6-4-5-7-22(21)27-12-14-28(15-13-27)24(29)18(3)16-19-8-10-20(25)11-9-19/h4-11,17-18,23H,12-16,26H2,1-3H3/t18-,23+/m1/s1
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180n/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 3 (MC3R)


(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
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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190n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC3R 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 3


(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
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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190n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse MC3R


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 3 (MC3R)


(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
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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200n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC3R 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))
BDBM50261192
PNG
(1-{2-[(1S)-Amino-2-methylpropyl]-4-chlorophenyl}-4...)
Show SMILES CC(C)[C@H](N)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H31Cl2N3O/c1-16(2)23(27)21-15-20(26)8-9-22(21)28-10-12-29(13-11-28)24(30)17(3)14-18-4-6-19(25)7-5-18/h4-9,15-17,23H,10-14,27H2,1-3H3/t17-,23+/m1/s1
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210n/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 3 (MC3R)


(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
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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220n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC3R 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 3 (MC3R)


(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
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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230n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC3R 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
Ghrelin receptor


(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
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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240n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ghrelin receptor


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 3 (MC3R)


(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
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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270n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC3R 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 5 (MC5R)


(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
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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320n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC5R 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 5 (MC5R)


(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
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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340n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC5R 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 3


(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
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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340n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at rat MC3R


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 3 (MC3R)


(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
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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380n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC3R 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 5 (MC5R)


(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
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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390n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC5R 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 5 (MC5R)


(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
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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400n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC5R 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 3 (MC3R)


(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
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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450n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC3R 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
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