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Compile Data Set for Download or QSAR

Found 93 hits Enz. Inhib. hit(s) with all data for entry = 50026848   
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))
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))
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))
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))
BDBM50245371
PNG
((2R)-1-(4-(2-(1-amino-3-methylbutyl)phenyl)piperaz...)
Show SMILES CC(C)CC(N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N(Cc1ccccn1)Cc1ccccn1 |r|
Show InChI InChI=1S/C36H42Cl2N6O/c1-26(2)21-33(39)31-11-3-4-12-34(31)42-17-19-43(20-18-42)36(45)35(22-27-13-14-28(37)23-32(27)38)44(24-29-9-5-7-15-40-29)25-30-10-6-8-16-41-30/h3-16,23,26,33,35H,17-22,24-25,39H2,1-2H3/t33?,35-/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))
BDBM50245511
PNG
(3-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)CCN |r|
Show InChI InChI=1S/C27H37Cl2N5O2/c1-18(2)15-23(31)21-5-3-4-6-25(21)33-11-13-34(14-12-33)27(36)24(32-26(35)9-10-30)16-19-7-8-20(28)17-22(19)29/h3-8,17-18,23-24H,9-16,30-31H2,1-2H3,(H,32,35)/t23?,24-/m1/s1
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3.20n/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))
BDBM50245536
PNG
((S)-2-amino-N-((R)-1-(4-(2-(1-amino-3-methylbutyl)...)
Show SMILES CC(C)CC(N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](C)N |r|
Show InChI InChI=1S/C27H37Cl2N5O2/c1-17(2)14-23(31)21-6-4-5-7-25(21)33-10-12-34(13-11-33)27(36)24(32-26(35)18(3)30)15-19-8-9-20(28)16-22(19)29/h4-9,16-18,23-24H,10-15,30-31H2,1-3H3,(H,32,35)/t18-,23?,24+/m0/s1
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4.20n/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))
BDBM50245563
PNG
(CHEMBL488030 | N-((R)-1-(4-(2-(1-amino-3-methylbut...)
Show SMILES CNC(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1C(N)CC(C)C |r|
Show InChI InChI=1S/C29H41Cl2N5O2/c1-19(2)16-24(32)22-8-6-7-9-26(22)35-12-14-36(15-13-35)27(37)25(34-28(38)29(3,4)33-5)17-20-10-11-21(30)18-23(20)31/h6-11,18-19,24-25,33H,12-17,32H2,1-5H3,(H,34,38)/t24?,25-/m1/s1
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4.70n/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))
BDBM50245331
PNG
((1S,2S)-ethyl 2-(4-((R)-2-(3-aminopropanamido)-3-(...)
Show SMILES CCOC(=O)[C@H]1CCCC[C@@H]1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
Show InChI InChI=1S/C25H36Cl2N4O4/c1-2-35-25(34)19-5-3-4-6-22(19)30-11-13-31(14-12-30)24(33)21(29-23(32)9-10-28)15-17-7-8-18(26)16-20(17)27/h7-8,16,19,21-22H,2-6,9-15,28H2,1H3,(H,29,32)/t19-,21+,22-/m0/s1
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6.30n/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))
BDBM50245537
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)C(C)(C)N |r|
Show InChI InChI=1S/C28H39Cl2N5O2/c1-18(2)15-23(31)21-7-5-6-8-25(21)34-11-13-35(14-12-34)26(36)24(33-27(37)28(3,4)32)16-19-9-10-20(29)17-22(19)30/h5-10,17-18,23-24H,11-16,31-32H2,1-4H3,(H,33,37)/t23?,24-/m1/s1
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7.70n/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))
BDBM50245484
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES CC(C)CC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
Show InChI InChI=1S/C27H36Cl2N4O3/c1-18(2)15-25(34)21-5-3-4-6-24(21)32-11-13-33(14-12-32)27(36)23(31-26(35)9-10-30)16-19-7-8-20(28)17-22(19)29/h3-8,17-18,23,25,34H,9-16,30H2,1-2H3,(H,31,35)/t23-,25?/m1/s1
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8.10n/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))
BDBM50245486
PNG
(CHEMBL471340 | N-((R)-3-(2,4-dichlorophenyl)-1-(4-...)
Show SMILES CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1C(O)CC(C)C |r|
Show InChI InChI=1S/C27H36Cl2N4O3/c1-18(2)14-25(34)21-6-4-5-7-24(21)32-10-12-33(13-11-32)27(36)23(31-26(35)17-30-3)15-19-8-9-20(28)16-22(19)29/h4-9,16,18,23,25,30,34H,10-15,17H2,1-3H3,(H,31,35)/t23-,25?/m1/s1
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8.30n/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))
BDBM50245722
PNG
(2-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((R)...)
Show SMILES CC(C)C[C@@H](O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN |r|
Show InChI InChI=1S/C26H34Cl2N4O3/c1-17(2)13-24(33)20-5-3-4-6-23(20)31-9-11-32(12-10-31)26(35)22(30-25(34)16-29)14-18-7-8-19(27)15-21(18)28/h3-8,15,17,22,24,33H,9-14,16,29H2,1-2H3,(H,30,34)/t22-,24-/m1/s1
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9n/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))
BDBM50245166
PNG
((R)-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(3-hydroxype...)
Show SMILES CCC(O)(CC)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN(C)C |r|
Show InChI InChI=1S/C28H38Cl2N4O3/c1-5-28(37,6-2)22-9-7-8-10-25(22)33-13-15-34(16-14-33)27(36)24(31-26(35)19-32(3)4)17-20-11-12-21(29)18-23(20)30/h7-12,18,24,37H,5-6,13-17,19H2,1-4H3,(H,31,35)/t24-/m1/s1
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9.40n/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))
BDBM50245765
PNG
(CHEMBL454916 | N-((R)-3-(2,4-dichlorophenyl)-1-(4-...)
Show SMILES CC(C)CC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN(C)C |r|
Show InChI InChI=1S/C28H38Cl2N4O3/c1-19(2)15-26(35)22-7-5-6-8-25(22)33-11-13-34(14-12-33)28(37)24(31-27(36)18-32(3)4)16-20-9-10-21(29)17-23(20)30/h5-10,17,19,24,26,35H,11-16,18H2,1-4H3,(H,31,36)/t24-,26?/m1/s1
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9.60n/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))
BDBM50245720
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(3-h...)
Show SMILES CCC(O)(CC)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
Show InChI InChI=1S/C27H36Cl2N4O3/c1-3-27(36,4-2)21-7-5-6-8-24(21)32-13-15-33(16-14-32)26(35)23(31-25(34)11-12-30)17-19-9-10-20(28)18-22(19)29/h5-10,18,23,36H,3-4,11-17,30H2,1-2H3,(H,31,34)/t23-/m1/s1
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11n/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))
BDBM50245719
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(2-h...)
Show SMILES CCCC(C)(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
Show InChI InChI=1S/C27H36Cl2N4O3/c1-3-11-27(2,36)21-6-4-5-7-24(21)32-13-15-33(16-14-32)26(35)23(31-25(34)10-12-30)17-19-8-9-20(28)18-22(19)29/h4-9,18,23,36H,3,10-17,30H2,1-2H3,(H,31,34)/t23-,27?/m1/s1
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11n/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))
BDBM50152808
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1 |r|
Show InChI InChI=1S/C36H40ClN5O2S/c37-30-13-11-26(12-14-30)22-33(40-35(43)32-23-27-6-1-2-7-28(27)25-39-32)36(44)42-19-17-41(18-20-42)34-10-4-3-8-29(34)24-38-16-15-31-9-5-21-45-31/h1-14,21,32-33,38-39H,15-20,22-25H2,(H,40,43)/t32-,33-/m1/s1
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11n/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))
BDBM50245165
PNG
((R)-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(3-hydroxype...)
Show SMILES CCC(O)(CC)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CNC |r|
Show InChI InChI=1S/C27H36Cl2N4O3/c1-4-27(36,5-2)21-8-6-7-9-24(21)32-12-14-33(15-13-32)26(35)23(31-25(34)18-30-3)16-19-10-11-20(28)17-22(19)29/h6-11,17,23,30,36H,4-5,12-16,18H2,1-3H3,(H,31,34)/t23-/m1/s1
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13n/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))
BDBM50245485
PNG
(2-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES CC(C)CC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN |r|
Show InChI InChI=1S/C26H34Cl2N4O3/c1-17(2)13-24(33)20-5-3-4-6-23(20)31-9-11-32(12-10-31)26(35)22(30-25(34)16-29)14-18-7-8-19(27)15-21(18)28/h3-8,15,17,22,24,33H,9-14,16,29H2,1-2H3,(H,30,34)/t22-,24?/m1/s1
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13n/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))
BDBM50245368
PNG
((2R)-1-(4-(2-(1-amino-3-methylbutyl)phenyl)piperaz...)
Show SMILES CC(C)CC(N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NCC1CCOC1 |r|
Show InChI InChI=1S/C29H40Cl2N4O2/c1-20(2)15-26(32)24-5-3-4-6-28(24)34-10-12-35(13-11-34)29(36)27(33-18-21-9-14-37-19-21)16-22-7-8-23(30)17-25(22)31/h3-8,17,20-21,26-27,33H,9-16,18-19,32H2,1-2H3/t21?,26?,27-/m1/s1
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15n/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))
BDBM50245508
PNG
((S)-2-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-...)
Show SMILES CC(C)CC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](C)N |r|
Show InChI InChI=1S/C27H36Cl2N4O3/c1-17(2)14-25(34)21-6-4-5-7-24(21)32-10-12-33(13-11-32)27(36)23(31-26(35)18(3)30)15-19-8-9-20(28)16-22(19)29/h4-9,16-18,23,25,34H,10-15,30H2,1-3H3,(H,31,35)/t18-,23+,25?/m0/s1
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16n/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))
BDBM50245167
PNG
((S)-2-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-...)
Show SMILES CCC(O)(CC)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](C)N |r|
Show InChI InChI=1S/C27H36Cl2N4O3/c1-4-27(36,5-2)21-8-6-7-9-24(21)32-12-14-33(15-13-32)26(35)23(31-25(34)18(3)30)16-19-10-11-20(28)17-22(19)29/h6-11,17-18,23,36H,4-5,12-16,30H2,1-3H3,(H,31,34)/t18-,23+/m0/s1
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18n/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))
BDBM50245510
PNG
(CHEMBL471167 | N-((R)-3-(2,4-dichlorophenyl)-1-(4-...)
Show SMILES CNC(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1C(O)CC(C)C |r|
Show InChI InChI=1S/C29H40Cl2N4O3/c1-19(2)16-26(36)22-8-6-7-9-25(22)34-12-14-35(15-13-34)27(37)24(33-28(38)29(3,4)32-5)17-20-10-11-21(30)18-23(20)31/h6-11,18-19,24,26,32,36H,12-17H2,1-5H3,(H,33,38)/t24-,26?/m1/s1
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21n/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))
BDBM50245367
PNG
((2R)-1-(4-(2-(1-amino-3-methylbutyl)phenyl)piperaz...)
Show SMILES CSCCCN[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1C(N)CC(C)C |r|
Show InChI InChI=1S/C28H40Cl2N4OS/c1-20(2)17-25(31)23-7-4-5-8-27(23)33-12-14-34(15-13-33)28(35)26(32-11-6-16-36-3)18-21-9-10-22(29)19-24(21)30/h4-5,7-10,19-20,25-26,32H,6,11-18,31H2,1-3H3/t25?,26-/m1/s1
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21n/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))
BDBM50245677
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES COc1ccc(CCC(O)c2ccccc2N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)cc1 |r|
Show InChI InChI=1S/C32H38Cl2N4O4/c1-42-25-11-6-22(7-12-25)8-13-30(39)26-4-2-3-5-29(26)37-16-18-38(19-17-37)32(41)28(36-31(40)14-15-35)20-23-9-10-24(33)21-27(23)34/h2-7,9-12,21,28,30,39H,8,13-20,35H2,1H3,(H,36,40)/t28-,30?/m1/s1
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23n/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))
BDBM50245413
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(3-m...)
Show SMILES CC(C)CC(=O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
Show InChI InChI=1S/C27H34Cl2N4O3/c1-18(2)15-25(34)21-5-3-4-6-24(21)32-11-13-33(14-12-32)27(36)23(31-26(35)9-10-30)16-19-7-8-20(28)17-22(19)29/h3-8,17-18,23H,9-16,30H2,1-2H3,(H,31,35)/t23-/m1/s1
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24n/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))
BDBM50245565
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES CCCC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
Show InChI InChI=1S/C26H34Cl2N4O3/c1-2-5-24(33)20-6-3-4-7-23(20)31-12-14-32(15-13-31)26(35)22(30-25(34)10-11-29)16-18-8-9-19(27)17-21(18)28/h3-4,6-9,17,22,24,33H,2,5,10-16,29H2,1H3,(H,30,34)/t22-,24?/m1/s1
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26n/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))
BDBM50245449
PNG
((S)-2-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-...)
Show SMILES CC(C)CC(=O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](C)N |r|
Show InChI InChI=1S/C27H34Cl2N4O3/c1-17(2)14-25(34)21-6-4-5-7-24(21)32-10-12-33(13-11-32)27(36)23(31-26(35)18(3)30)15-19-8-9-20(28)16-22(19)29/h4-9,16-18,23H,10-15,30H2,1-3H3,(H,31,35)/t18-,23+/m0/s1
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26n/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))
BDBM50245767
PNG
((R)-2-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(3-h...)
Show SMILES CCC(O)(CC)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN |r|
Show InChI InChI=1S/C26H34Cl2N4O3/c1-3-26(35,4-2)20-7-5-6-8-23(20)31-11-13-32(14-12-31)25(34)22(30-24(33)17-29)15-18-9-10-19(27)16-21(18)28/h5-10,16,22,35H,3-4,11-15,17,29H2,1-2H3,(H,30,33)/t22-/m1/s1
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26n/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))
BDBM50245764
PNG
(2-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((S)...)
Show SMILES CC(C)C[C@H](O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN |r|
Show InChI InChI=1S/C26H34Cl2N4O3/c1-17(2)13-24(33)20-5-3-4-6-23(20)31-9-11-32(12-10-31)26(35)22(30-25(34)16-29)14-18-7-8-19(27)15-21(18)28/h3-8,15,17,22,24,33H,9-14,16,29H2,1-2H3,(H,30,34)/t22-,24+/m1/s1
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28n/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))
BDBM50245605
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES CC(C=C)C(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
Show InChI InChI=1S/C27H34Cl2N4O3/c1-3-18(2)26(35)21-6-4-5-7-24(21)32-12-14-33(15-13-32)27(36)23(31-25(34)10-11-30)16-19-8-9-20(28)17-22(19)29/h3-9,17-18,23,26,35H,1,10-16,30H2,2H3,(H,31,34)/t18?,23-,26?/m1/s1
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29n/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))
BDBM50245448
PNG
((R)-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(3-methylbut...)
Show SMILES CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1C(=O)CC(C)C |r|
Show InChI InChI=1S/C27H34Cl2N4O3/c1-18(2)14-25(34)21-6-4-5-7-24(21)32-10-12-33(13-11-32)27(36)23(31-26(35)17-30-3)15-19-8-9-20(28)16-22(19)29/h4-9,16,18,23,30H,10-15,17H2,1-3H3,(H,31,35)/t23-/m1/s1
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31n/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))
BDBM50245676
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1C(O)CCc1ccccc1 |r|
Show InChI InChI=1S/C31H36Cl2N4O3/c32-24-12-11-23(26(33)21-24)20-27(35-30(39)14-15-34)31(40)37-18-16-36(17-19-37)28-9-5-4-8-25(28)29(38)13-10-22-6-2-1-3-7-22/h1-9,11-12,21,27,29,38H,10,13-20,34H2,(H,35,39)/t27-,29?/m1/s1
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32n/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))
BDBM50245447
PNG
((R)-2-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(3-m...)
Show SMILES CC(C)CC(=O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN |r|
Show InChI InChI=1S/C26H32Cl2N4O3/c1-17(2)13-24(33)20-5-3-4-6-23(20)31-9-11-32(12-10-31)26(35)22(30-25(34)16-29)14-18-7-8-19(27)15-21(18)28/h3-8,15,17,22H,9-14,16,29H2,1-2H3,(H,30,34)/t22-/m1/s1
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33n/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))
BDBM50245221
PNG
((R)-2-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(3-h...)
Show SMILES CCC(O)(CC)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(C)(C)N |r|
Show InChI InChI=1S/C28H38Cl2N4O3/c1-5-28(37,6-2)21-9-7-8-10-24(21)33-13-15-34(16-14-33)25(35)23(32-26(36)27(3,4)31)17-19-11-12-20(29)18-22(19)30/h7-12,18,23,37H,5-6,13-17,31H2,1-4H3,(H,32,36)/t23-/m1/s1
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38n/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))
BDBM50245288
PNG
((R)-1-cyclopropyl-3-(3-(2,4-dichlorophenyl)-1-(4-(...)
Show SMILES CCC(O)(CC)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NC1CC1 |r|
Show InChI InChI=1S/C28H36Cl2N4O3/c1-3-28(37,4-2)22-7-5-6-8-25(22)33-13-15-34(16-14-33)26(35)24(32-27(36)31-21-11-12-21)17-19-9-10-20(29)18-23(19)30/h5-10,18,21,24,37H,3-4,11-17H2,1-2H3,(H2,31,32,36)/t24-/m1/s1
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42n/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))
BDBM50245509
PNG
(2-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES CC(C)CC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(C)(C)N |r|
Show InChI InChI=1S/C28H38Cl2N4O3/c1-18(2)15-25(35)21-7-5-6-8-24(21)33-11-13-34(14-12-33)26(36)23(32-27(37)28(3,4)31)16-19-9-10-20(29)17-22(19)30/h5-10,17-18,23,25,35H,11-16,31H2,1-4H3,(H,32,37)/t23-,25?/m1/s1
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46n/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))
BDBM50245606
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES CCC(C)C(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
Show InChI InChI=1S/C27H36Cl2N4O3/c1-3-18(2)26(35)21-6-4-5-7-24(21)32-12-14-33(15-13-32)27(36)23(31-25(34)10-11-30)16-19-8-9-20(28)17-22(19)29/h4-9,17-18,23,26,35H,3,10-16,30H2,1-2H3,(H,31,34)/t18?,23-,26?/m1/s1
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47n/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))
BDBM50245766
PNG
(CHEMBL454917 | N-((R)-3-(2,4-dichlorophenyl)-1-(4-...)
Show SMILES CC(C)CC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1CCCNC1 |r|
Show InChI InChI=1S/C30H40Cl2N4O3/c1-20(2)16-28(37)24-7-3-4-8-27(24)35-12-14-36(15-13-35)30(39)26(17-21-9-10-23(31)18-25(21)32)34-29(38)22-6-5-11-33-19-22/h3-4,7-10,18,20,22,26,28,33,37H,5-6,11-17,19H2,1-2H3,(H,34,38)/t22?,26-,28?/m1/s1
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49n/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))
BDBM50245330
PNG
((2R)-1-(4-(2-(1-amino-3-methylbutyl)phenyl)piperaz...)
Show SMILES CC(C)CC(N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(C)C |r|
Show InChI InChI=1S/C27H38Cl2N4O/c1-18(2)15-24(30)22-7-5-6-8-26(22)32-11-13-33(14-12-32)27(34)25(31-19(3)4)16-20-9-10-21(28)17-23(20)29/h5-10,17-19,24-25,31H,11-16,30H2,1-4H3/t24?,25-/m1/s1
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53n/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))
BDBM50245607
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1C(O)Cc1ccccc1 |r|
Show InChI InChI=1S/C30H34Cl2N4O3/c31-23-11-10-22(25(32)20-23)19-26(34-29(38)12-13-33)30(39)36-16-14-35(15-17-36)27-9-5-4-8-24(27)28(37)18-21-6-2-1-3-7-21/h1-11,20,26,28,37H,12-19,33H2,(H,34,38)/t26-,28?/m1/s1
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54n/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))
BDBM50245168
PNG
((R)-2-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-...)
Show SMILES CCC(O)(CC)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](C)N |r|
Show InChI InChI=1S/C27H36Cl2N4O3/c1-4-27(36,5-2)21-8-6-7-9-24(21)32-12-14-33(15-13-32)26(35)23(31-25(34)18(3)30)16-19-10-11-20(28)17-22(19)29/h6-11,17-18,23,36H,4-5,12-16,30H2,1-3H3,(H,31,34)/t18-,23-/m1/s1
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65n/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))
BDBM50245674
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES COc1ccccc1CC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
Show InChI InChI=1S/C31H36Cl2N4O4/c1-41-29-9-5-2-6-22(29)19-28(38)24-7-3-4-8-27(24)36-14-16-37(17-15-36)31(40)26(35-30(39)12-13-34)18-21-10-11-23(32)20-25(21)33/h2-11,20,26,28,38H,12-19,34H2,1H3,(H,35,39)/t26-,28?/m1/s1
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66n/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))
BDBM50245675
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES COc1cccc(CC(O)c2ccccc2N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C31H36Cl2N4O4/c1-41-24-6-4-5-21(17-24)18-29(38)25-7-2-3-8-28(25)36-13-15-37(16-14-36)31(40)27(35-30(39)11-12-34)19-22-9-10-23(32)20-26(22)33/h2-10,17,20,27,29,38H,11-16,18-19,34H2,1H3,(H,35,39)/t27-,29?/m1/s1
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66n/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))
BDBM50189237
PNG
((1S)-[2-{4-[3-(2,4-dichlorophenyl)propionyl]-1-pip...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C25H30Cl2F3N3O/c1-16(2)13-22(31)20-14-18(25(28,29)30)5-7-23(20)32-9-11-33(12-10-32)24(34)8-4-17-3-6-19(26)15-21(17)27/h3,5-7,14-16,22H,4,8-13,31H2,1-2H3/t22-/m0/s1
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74n/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))
BDBM50245332
PNG
((2R)-2-(bis(pyridin-2-ylmethyl)amino)-3-(2,4-dichl...)
Show SMILES CC(C)CC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N(Cc1ccccn1)Cc1ccccn1 |r|
Show InChI InChI=1S/C36H41Cl2N5O2/c1-26(2)21-35(44)31-11-3-4-12-33(31)41-17-19-42(20-18-41)36(45)34(22-27-13-14-28(37)23-32(27)38)43(24-29-9-5-7-15-39-29)25-30-10-6-8-16-40-30/h3-16,23,26,34-35,44H,17-22,24-25H2,1-2H3/t34-,35?/m1/s1
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83n/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))
BDBM50245286
PNG
((2R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-hydroxy-3-m...)
Show SMILES CC(C)CC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NCC1CCOC1 |r|
Show InChI InChI=1S/C29H39Cl2N3O3/c1-20(2)15-28(35)24-5-3-4-6-27(24)33-10-12-34(13-11-33)29(36)26(32-18-21-9-14-37-19-21)16-22-7-8-23(30)17-25(22)31/h3-8,17,20-21,26,28,32,35H,9-16,18-19H2,1-2H3/t21?,26-,28?/m1/s1
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89n/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))
BDBM50245483
PNG
((R)-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(3-methylbut...)
Show SMILES CNC(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1C(=O)CC(C)C |r|
Show InChI InChI=1S/C29H38Cl2N4O3/c1-19(2)16-26(36)22-8-6-7-9-25(22)34-12-14-35(15-13-34)27(37)24(33-28(38)29(3,4)32-5)17-20-10-11-21(30)18-23(20)31/h6-11,18-19,24,32H,12-17H2,1-5H3,(H,33,38)/t24-/m1/s1
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91n/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))
BDBM50245283
PNG
((R)-1-(2-(4-(2-(bis(pyridin-2-ylmethyl)amino)-3-(2...)
Show SMILES CC(C)CC(=O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N(Cc1ccccn1)Cc1ccccn1 |r|
Show InChI InChI=1S/C36H39Cl2N5O2/c1-26(2)21-35(44)31-11-3-4-12-33(31)41-17-19-42(20-18-41)36(45)34(22-27-13-14-28(37)23-32(27)38)43(24-29-9-5-7-15-39-29)25-30-10-6-8-16-40-30/h3-16,23,26,34H,17-22,24-25H2,1-2H3/t34-/m1/s1
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110n/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))
BDBM50245450
PNG
((R)-2-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(3-m...)
Show SMILES CC(C)CC(=O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)C(C)(C)N |r|
Show InChI InChI=1S/C28H36Cl2N4O3/c1-18(2)15-25(35)21-7-5-6-8-24(21)33-11-13-34(14-12-33)26(36)23(32-27(37)28(3,4)31)16-19-9-10-20(29)17-22(19)30/h5-10,17-18,23H,11-16,31H2,1-4H3,(H,32,37)/t23-/m1/s1
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110n/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
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