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5 similar compounds to monomer 50261228

Compile data set for download or QSAR
Wt: 492.4
BDBM50191008
Wt: 519.5
BDBM50261197
Wt: 533.0
BDBM50261227
Wt: 549.5
BDBM50261229
Wt: 561.5
BDBM50261231

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50191008,50261197,50261227,50261229,50261231   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
KEGG

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0.800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem 16: 5606-18 (2008)


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


(Homo sapiens (Human))
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))
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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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))
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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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))
BDBM50191008
PNG
(1-(4-(2-((S)-1-amino-3-methylbutyl)-4-chlorophenyl...)
Show SMILES COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(CC1)c1ccc(Cl)cc1[C@@H](N)CC(C)C
Show InChI InChI=1S/C26H35Cl2N3O2/c1-17(2)13-23(29)22-15-20(27)7-8-24(22)30-9-11-31(12-10-30)26(32)18(3)14-19-5-6-21(28)16-25(19)33-4/h5-8,15-18,23H,9-14,29H2,1-4H3/t18?,23-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.075
BindingDB Entry DOI: 10.7270/Q2NC60VS
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 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 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))
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 (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 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 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
KEGG

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n/an/a 150n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MC4R expressed in CHO cells assessed as inhibition of alpha-MSH-induced cAMP production by ELISA


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
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n/an/a 300n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MC4R expressed in CHO cells assessed as inhibition of alpha-MSH-induced cAMP production by ELISA


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



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MC4R expressed in CHO cells assessed as inhibition of alpha-MSH-induced cAMP production by ELISA


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