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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50038240   
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))
BDBM50373508
PNG
(CHEMBL404549)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C34H48ClN5O3/c1-22(2)32(37-33(41)24(4)36)28-19-23(3)5-10-31(28)38-13-15-39(16-14-38)34(42)30-21-40(27-11-17-43-18-12-27)20-29(30)25-6-8-26(35)9-7-25/h5-10,19,22,24,27,29-30,32H,11-18,20-21,36H2,1-4H3,(H,37,41)/t24-,29-,30+,32-/m0/s1
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


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



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


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



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373510
PNG
(CHEMBL404069)
Show SMILES CC(C)[C@H](NC(=O)CN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C33H46ClN5O3/c1-22(2)32(36-31(40)19-35)27-18-23(3)4-9-30(27)37-12-14-38(15-13-37)33(41)29-21-39(26-10-16-42-17-11-26)20-28(29)24-5-7-25(34)8-6-24/h4-9,18,22,26,28-29,32H,10-17,19-21,35H2,1-3H3,(H,36,40)/t28-,29+,32-/m0/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373499
PNG
(CHEMBL402017)
Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C34H48ClN5O3/c1-23(2)33(37-32(41)20-36-4)28-19-24(3)5-10-31(28)38-13-15-39(16-14-38)34(42)30-22-40(27-11-17-43-18-12-27)21-29(30)25-6-8-26(35)9-7-25/h5-10,19,23,27,29-30,33,36H,11-18,20-22H2,1-4H3,(H,37,41)/t29-,30+,33-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373511
PNG
(CHEMBL272956)
Show SMILES CC(C)[C@H](NC(=O)CCN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C34H48ClN5O3/c1-23(2)33(37-32(41)10-13-36)28-20-24(3)4-9-31(28)38-14-16-39(17-15-38)34(42)30-22-40(27-11-18-43-19-12-27)21-29(30)25-5-7-26(35)8-6-25/h4-9,20,23,27,29-30,33H,10-19,21-22,36H2,1-3H3,(H,37,41)/t29-,30+,33-/m0/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 MC4 receptor expressed in HEK293 cells


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


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


(Homo sapiens (Human))
BDBM50373501
PNG
(CHEMBL402787)
Show SMILES CCC(=O)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](NC(=O)CCN(C)C)C(C)C
Show InChI InChI=1S/C34H48ClN5O3/c1-7-32(42)40-21-28(25-9-11-26(35)12-10-25)29(22-40)34(43)39-18-16-38(17-19-39)30-13-8-24(4)20-27(30)33(23(2)3)36-31(41)14-15-37(5)6/h8-13,20,23,28-29,33H,7,14-19,21-22H2,1-6H3,(H,36,41)/t28-,29+,33-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373500
PNG
(CHEMBL403806)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C36H52ClN5O3/c1-25(2)35(38-34(43)12-15-39(4)5)30-22-26(3)6-11-33(30)40-16-18-41(19-17-40)36(44)32-24-42(29-13-20-45-21-14-29)23-31(32)27-7-9-28(37)10-8-27/h6-11,22,25,29,31-32,35H,12-21,23-24H2,1-5H3,(H,38,43)/t31-,32+,35+/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50218106
PNG
(CHEMBL400932 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C34H50ClN5O2/c1-23(2)33(36-32(41)14-15-37(6)7)28-20-25(5)8-13-31(28)38-16-18-39(19-17-38)34(42)30-22-40(24(3)4)21-29(30)26-9-11-27(35)12-10-26/h8-13,20,23-24,29-30,33H,14-19,21-22H2,1-7H3,(H,36,41)/t29-,30+,33-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373513
PNG
(CHEMBL429314)
Show SMILES CC(C)[C@H](N(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C33H47ClN4O2/c1-23(2)32(35(4)5)28-20-24(3)6-11-31(28)36-14-16-37(17-15-36)33(39)30-22-38(27-12-18-40-19-13-27)21-29(30)25-7-9-26(34)10-8-25/h6-11,20,23,27,29-30,32H,12-19,21-22H2,1-5H3/t29-,30+,32-/m0/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 MC4 receptor expressed in HEK293 cells


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


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


(Homo sapiens (Human))
BDBM50373507
PNG
(CHEMBL403967)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C33H47ClFN5O2/c1-22(2)31(36-30(41)14-15-37(5)6)26-8-7-9-29(35)32(26)38-16-18-39(19-17-38)33(42)28-21-40(23(3)4)20-27(28)24-10-12-25(34)13-11-24/h7-13,22-23,27-28,31H,14-21H2,1-6H3,(H,36,41)/t27-,28+,31-/m0/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 MC4 receptor expressed in HEK293 cells


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


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


(Homo sapiens (Human))
BDBM50373515
PNG
(CHEMBL270015)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C31H44ClN5O2/c1-21(2)30(34-29(38)12-13-35(4)5)25-18-22(3)6-11-28(25)36-14-16-37(17-15-36)31(39)27-20-33-19-26(27)23-7-9-24(32)10-8-23/h6-11,18,21,26-27,30,33H,12-17,19-20H2,1-5H3,(H,34,38)/t26-,27+,30-/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373509
PNG
(CHEMBL256686)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](C)N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C34H48ClN5O3/c1-22(2)32(37-33(41)24(4)36)28-19-23(3)5-10-31(28)38-13-15-39(16-14-38)34(42)30-21-40(27-11-17-43-18-12-27)20-29(30)25-6-8-26(35)9-7-25/h5-10,19,22,24,27,29-30,32H,11-18,20-21,36H2,1-4H3,(H,37,41)/t24-,29+,30-,32+/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373505
PNG
(CHEMBL402075)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1Cl)C(C)C
Show InChI InChI=1S/C33H46Cl2FN5O2/c1-21(2)31(37-30(42)12-13-38(5)6)25-8-7-9-29(36)32(25)39-14-16-40(17-15-39)33(43)27-20-41(22(3)4)19-26(27)24-11-10-23(34)18-28(24)35/h7-11,18,21-22,26-27,31H,12-17,19-20H2,1-6H3,(H,37,42)/t26-,27+,31-/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 human MC4 receptor expressed in HEK293 cells


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


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


(Homo sapiens (Human))
BDBM50373514
PNG
(CHEMBL406309)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C33H46ClN5O3/c1-22(2)32(35-31(41)13-14-36(5)6)27-19-23(3)7-12-30(27)37-15-17-38(18-16-37)33(42)29-21-39(24(4)40)20-28(29)25-8-10-26(34)11-9-25/h7-12,19,22,28-29,32H,13-18,20-21H2,1-6H3,(H,35,41)/t28-,29+,32-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50224648
PNG
((4-(2-((S)-1-amino-2-methylpropyl)-4-methylphenyl)...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C31H43ClN4O2/c1-21(2)30(33)26-18-22(3)4-9-29(26)34-12-14-35(15-13-34)31(37)28-20-36(25-10-16-38-17-11-25)19-27(28)23-5-7-24(32)8-6-23/h4-9,18,21,25,27-28,30H,10-17,19-20,33H2,1-3H3/t27-,28+,30-/m0/s1
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12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373518
PNG
(CHEMBL404706)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(c(F)c1)C(F)(F)F)C(C)C
Show InChI InChI=1S/C34H46F5N5O2/c1-21(2)31(40-30(45)12-13-41(5)6)24-8-7-9-28(35)32(24)42-14-16-43(17-15-42)33(46)26-20-44(22(3)4)19-25(26)23-10-11-27(29(36)18-23)34(37,38)39/h7-11,18,21-22,25-26,31H,12-17,19-20H2,1-6H3,(H,40,45)/t25-,26+,31-/m0/s1
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51n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373521
PNG
(CHEMBL401793)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1F)C(F)(F)F)C(C)C
Show InChI InChI=1S/C34H46F5N5O2/c1-21(2)31(40-30(45)12-13-41(5)6)25-8-7-9-28(35)32(25)42-14-16-43(17-15-42)33(46)27-20-44(22(3)4)19-26(27)24-11-10-23(18-29(24)36)34(37,38)39/h7-11,18,21-22,26-27,31H,12-17,19-20H2,1-6H3,(H,40,45)/t26-,27+,31-/m0/s1
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61n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373502
PNG
(CHEMBL257447)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C34H50ClN5O2/c1-23(2)33(36-32(41)14-15-37(6)7)28-20-25(5)8-13-31(28)38-16-18-39(19-17-38)34(42)30-22-40(24(3)4)21-29(30)26-9-11-27(35)12-10-26/h8-13,20,23-24,29-30,33H,14-19,21-22H2,1-7H3,(H,36,41)/t29-,30-,33-/m0/s1
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90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373500
PNG
(CHEMBL403806)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C36H52ClN5O3/c1-25(2)35(38-34(43)12-15-39(4)5)30-22-26(3)6-11-33(30)40-16-18-41(19-17-40)36(44)32-24-42(29-13-20-45-21-14-29)23-31(32)27-7-9-28(37)10-8-27/h6-11,22,25,29,31-32,35H,12-21,23-24H2,1-5H3,(H,38,43)/t31-,32+,35+/m1/s1
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120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC1R


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


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


(Homo sapiens (Human))
BDBM50373516
PNG
(CHEMBL408511)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1cc(F)c(F)c(F)c1)C(C)C
Show InChI InChI=1S/C33H45F4N5O2/c1-20(2)31(38-29(43)10-11-39(5)6)23-8-7-9-26(34)32(23)40-12-14-41(15-13-40)33(44)25-19-42(21(3)4)18-24(25)22-16-27(35)30(37)28(36)17-22/h7-9,16-17,20-21,24-25,31H,10-15,18-19H2,1-6H3,(H,38,43)/t24-,25+,31-/m0/s1
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250n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50373512
PNG
(CHEMBL272538)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C36H52ClN5O3/c1-25(2)35(38-34(43)12-15-39(4)5)30-22-26(3)6-11-33(30)40-16-18-41(19-17-40)36(44)32-24-42(29-13-20-45-21-14-29)23-31(32)27-7-9-28(37)10-8-27/h6-11,22,25,29,31-32,35H,12-21,23-24H2,1-5H3,(H,38,43)/t31-,32+,35-/m0/s1
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260n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC3R


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


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


(Homo sapiens (Human))
BDBM50373504
PNG
(CHEMBL272515)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)c(Cl)c1)C(C)C
Show InChI InChI=1S/C33H46ClF2N5O2/c1-21(2)31(37-30(42)12-13-38(5)6)24-8-7-9-29(36)32(24)39-14-16-40(17-15-39)33(43)26-20-41(22(3)4)19-25(26)23-10-11-28(35)27(34)18-23/h7-11,18,21-22,25-26,31H,12-17,19-20H2,1-6H3,(H,37,42)/t25-,26+,31-/m0/s1
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260n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373519
PNG
(CHEMBL272514)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(C)C
Show InChI InChI=1S/C33H46F3N5O2/c1-21(2)31(37-30(42)12-13-38(5)6)24-8-7-9-28(35)32(24)39-14-16-40(17-15-39)33(43)26-20-41(22(3)4)19-25(26)23-10-11-27(34)29(36)18-23/h7-11,18,21-22,25-26,31H,12-17,19-20H2,1-6H3,(H,37,42)/t25-,26+,31-/m0/s1
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290n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373524
PNG
(CHEMBL403924)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1cccc(Cl)c1)C(C)C
Show InChI InChI=1S/C33H47ClFN5O2/c1-22(2)31(36-30(41)13-14-37(5)6)26-11-8-12-29(35)32(26)38-15-17-39(18-16-38)33(42)28-21-40(23(3)4)20-27(28)24-9-7-10-25(34)19-24/h7-12,19,22-23,27-28,31H,13-18,20-21H2,1-6H3,(H,36,41)/t27-,28+,31-/m0/s1
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370n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373523
PNG
(CHEMBL401593)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1cccc(C)c1)C(C)C
Show InChI InChI=1S/C34H50FN5O2/c1-23(2)32(36-31(41)14-15-37(6)7)27-12-9-13-30(35)33(27)38-16-18-39(19-17-38)34(42)29-22-40(24(3)4)21-28(29)26-11-8-10-25(5)20-26/h8-13,20,23-24,28-29,32H,14-19,21-22H2,1-7H3,(H,36,41)/t28-,29+,32-/m0/s1
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470n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50373500
PNG
(CHEMBL403806)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C36H52ClN5O3/c1-25(2)35(38-34(43)12-15-39(4)5)30-22-26(3)6-11-33(30)40-16-18-41(19-17-40)36(44)32-24-42(29-13-20-45-21-14-29)23-31(32)27-7-9-28(37)10-8-27/h6-11,22,25,29,31-32,35H,12-21,23-24H2,1-5H3,(H,38,43)/t31-,32+,35+/m1/s1
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530n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC5R


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


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


(Homo sapiens (Human))
BDBM50373522
PNG
(CHEMBL401792)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1cccc(F)c1)C(C)C
Show InChI InChI=1S/C33H47F2N5O2/c1-22(2)31(36-30(41)13-14-37(5)6)26-11-8-12-29(35)32(26)38-15-17-39(18-16-38)33(42)28-21-40(23(3)4)20-27(28)24-9-7-10-25(34)19-24/h7-12,19,22-23,27-28,31H,13-18,20-21H2,1-6H3,(H,36,41)/t27-,28+,31-/m0/s1
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560n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50373512
PNG
(CHEMBL272538)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C36H52ClN5O3/c1-25(2)35(38-34(43)12-15-39(4)5)30-22-26(3)6-11-33(30)40-16-18-41(19-17-40)36(44)32-24-42(29-13-20-45-21-14-29)23-31(32)27-7-9-28(37)10-8-27/h6-11,22,25,29,31-32,35H,12-21,23-24H2,1-5H3,(H,38,43)/t31-,32+,35-/m0/s1
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800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC5R


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


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


(Homo sapiens (Human))
BDBM50373503
PNG
(CHEMBL429252)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccoc1)C(C)C
Show InChI InChI=1S/C31H46FN5O3/c1-21(2)29(33-28(38)10-12-34(5)6)24-8-7-9-27(32)30(24)35-13-15-36(16-14-35)31(39)26-19-37(22(3)4)18-25(26)23-11-17-40-20-23/h7-9,11,17,20-22,25-26,29H,10,12-16,18-19H2,1-6H3,(H,33,38)/t25-,26+,29-/m0/s1
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850n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50373500
PNG
(CHEMBL403806)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C36H52ClN5O3/c1-25(2)35(38-34(43)12-15-39(4)5)30-22-26(3)6-11-33(30)40-16-18-41(19-17-40)36(44)32-24-42(29-13-20-45-21-14-29)23-31(32)27-7-9-28(37)10-8-27/h6-11,22,25,29,31-32,35H,12-21,23-24H2,1-5H3,(H,38,43)/t31-,32+,35+/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC3R


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


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


(Homo sapiens (Human))
BDBM50373520
PNG
(CHEMBL402510)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1cc(F)ccc1F)C(C)C
Show InChI InChI=1S/C33H46F3N5O2/c1-21(2)31(37-30(42)12-13-38(5)6)24-8-7-9-29(36)32(24)39-14-16-40(17-15-39)33(43)27-20-41(22(3)4)19-26(27)25-18-23(34)10-11-28(25)35/h7-11,18,21-22,26-27,31H,12-17,19-20H2,1-6H3,(H,37,42)/t26-,27+,31-/m0/s1
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2.05E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373506
PNG
(CHEMBL272088)
Show SMILES COc1cccc(c1)[C@@H]1CN(C[C@H]1C(=O)N1CCN(CC1)c1c(F)cccc1[C@@H](NC(=O)CCN(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C34H50FN5O3/c1-23(2)32(36-31(41)14-15-37(5)6)27-12-9-13-30(35)33(27)38-16-18-39(19-17-38)34(42)29-22-40(24(3)4)21-28(29)25-10-8-11-26(20-25)43-7/h8-13,20,23-24,28-29,32H,14-19,21-22H2,1-7H3,(H,36,41)/t28-,29+,32-/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373517
PNG
(CHEMBL270202)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1cc(F)cc(F)c1)C(C)C
Show InChI InChI=1S/C33H46F3N5O2/c1-21(2)31(37-30(42)10-11-38(5)6)26-8-7-9-29(36)32(26)39-12-14-40(15-13-39)33(43)28-20-41(22(3)4)19-27(28)23-16-24(34)18-25(35)17-23/h7-9,16-18,21-22,27-28,31H,10-15,19-20H2,1-6H3,(H,37,42)/t27-,28+,31-/m0/s1
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7.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373500
PNG
(CHEMBL403806)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C36H52ClN5O3/c1-25(2)35(38-34(43)12-15-39(4)5)30-22-26(3)6-11-33(30)40-16-18-41(19-17-40)36(44)32-24-42(29-13-20-45-21-14-29)23-31(32)27-7-9-28(37)10-8-27/h6-11,22,25,29,31-32,35H,12-21,23-24H2,1-5H3,(H,38,43)/t31-,32+,35+/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MC4 receptor expressed in CHO cells assessed as inhibition of alpha-MSH-stimulated cAMP production


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


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


(Homo sapiens (Human))
BDBM50373505
PNG
(CHEMBL402075)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1Cl)C(C)C
Show InChI InChI=1S/C33H46Cl2FN5O2/c1-21(2)31(37-30(42)12-13-38(5)6)25-8-7-9-29(36)32(25)39-14-16-40(17-15-39)33(43)27-20-41(22(3)4)19-26(27)24-11-10-23(34)18-28(24)35/h7-11,18,21-22,26-27,31H,12-17,19-20H2,1-6H3,(H,37,42)/t26-,27+,31-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MC4 receptor expressed in CHO cells assessed as inhibition of alpha-MSH-stimulated cAMP production


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


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


(Homo sapiens (Human))
BDBM50373507
PNG
(CHEMBL403967)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C33H47ClFN5O2/c1-22(2)31(36-30(41)14-15-37(5)6)26-8-7-9-29(35)32(26)38-16-18-39(19-17-38)33(42)28-21-40(23(3)4)20-27(28)24-10-12-25(34)13-11-24/h7-13,22-23,27-28,31H,14-21H2,1-6H3,(H,36,41)/t27-,28+,31-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373501
PNG
(CHEMBL402787)
Show SMILES CCC(=O)N1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](NC(=O)CCN(C)C)C(C)C
Show InChI InChI=1S/C34H48ClN5O3/c1-7-32(42)40-21-28(25-9-11-26(35)12-10-25)29(22-40)34(43)39-18-16-38(17-19-39)30-13-8-24(4)20-27(30)33(23(2)3)36-31(41)14-15-37(5)6/h8-13,20,23,28-29,33H,7,14-19,21-22H2,1-6H3,(H,36,41)/t28-,29+,33-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373499
PNG
(CHEMBL402017)
Show SMILES CNCC(=O)N[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C34H48ClN5O3/c1-23(2)33(37-32(41)20-36-4)28-19-24(3)5-10-31(28)38-13-15-39(16-14-38)34(42)30-22-40(27-11-17-43-18-12-27)21-29(30)25-6-8-26(35)9-7-25/h5-10,19,23,27,29-30,33,36H,11-18,20-22H2,1-4H3,(H,37,41)/t29-,30+,33-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373504
PNG
(CHEMBL272515)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)c(Cl)c1)C(C)C
Show InChI InChI=1S/C33H46ClF2N5O2/c1-21(2)31(37-30(42)12-13-38(5)6)24-8-7-9-29(36)32(24)39-14-16-40(17-15-39)33(43)26-20-41(22(3)4)19-25(26)23-10-11-28(35)27(34)18-23/h7-11,18,21-22,25-26,31H,12-17,19-20H2,1-6H3,(H,37,42)/t25-,26+,31-/m0/s1
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n/an/an/an/a 410n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373515
PNG
(CHEMBL270015)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C31H44ClN5O2/c1-21(2)30(34-29(38)12-13-35(4)5)25-18-22(3)6-11-28(25)36-14-16-37(17-15-36)31(39)27-20-33-19-26(27)23-7-9-24(32)10-8-23/h6-11,18,21,26-27,30,33H,12-17,19-20H2,1-5H3,(H,34,38)/t26-,27+,30-/m0/s1
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n/an/an/an/a 79n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373518
PNG
(CHEMBL404706)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(c(F)c1)C(F)(F)F)C(C)C
Show InChI InChI=1S/C34H46F5N5O2/c1-21(2)31(40-30(45)12-13-41(5)6)24-8-7-9-28(35)32(24)42-14-16-43(17-15-42)33(46)26-20-44(22(3)4)19-25(26)23-10-11-27(29(36)18-23)34(37,38)39/h7-11,18,21-22,25-26,31H,12-17,19-20H2,1-6H3,(H,40,45)/t25-,26+,31-/m0/s1
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n/an/an/an/a 340n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373514
PNG
(CHEMBL406309)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C33H46ClN5O3/c1-22(2)32(35-31(41)13-14-36(5)6)27-19-23(3)7-12-30(27)37-15-17-38(18-16-37)33(42)29-21-39(24(4)40)20-28(29)25-8-10-26(34)11-9-25/h7-12,19,22,28-29,32H,13-18,20-21H2,1-6H3,(H,35,41)/t28-,29+,32-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373509
PNG
(CHEMBL256686)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](C)N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C34H48ClN5O3/c1-22(2)32(37-33(41)24(4)36)28-19-23(3)5-10-31(28)38-13-15-39(16-14-38)34(42)30-21-40(27-11-17-43-18-12-27)20-29(30)25-6-8-26(35)9-7-25/h5-10,19,22,24,27,29-30,32H,11-18,20-21,36H2,1-4H3,(H,37,41)/t24-,29+,30-,32+/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50218106
PNG
(CHEMBL400932 | N-((S)-1-(2-(4-((3R,4S)-3-(4-chloro...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show InChI InChI=1S/C34H50ClN5O2/c1-23(2)33(36-32(41)14-15-37(6)7)28-20-25(5)8-13-31(28)38-16-18-39(19-17-38)34(42)30-22-40(24(3)4)21-29(30)26-9-11-27(35)12-10-26/h8-13,20,23-24,29-30,33H,14-19,21-22H2,1-7H3,(H,36,41)/t29-,30+,33-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373510
PNG
(CHEMBL404069)
Show SMILES CC(C)[C@H](NC(=O)CN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C33H46ClN5O3/c1-22(2)32(36-31(40)19-35)27-18-23(3)4-9-30(27)37-12-14-38(15-13-37)33(41)29-21-39(26-10-16-42-17-11-26)20-28(29)24-5-7-25(34)8-6-24/h4-9,18,22,26,28-29,32H,10-17,19-21,35H2,1-3H3,(H,36,40)/t28-,29+,32-/m0/s1
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n/an/an/an/a 9.10n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


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



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373511
PNG
(CHEMBL272956)
Show SMILES CC(C)[C@H](NC(=O)CCN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C34H48ClN5O3/c1-23(2)33(37-32(41)10-13-36)28-20-24(3)4-9-31(28)38-14-16-39(17-15-38)34(42)30-22-40(27-11-18-43-19-12-27)21-29(30)25-5-7-26(35)8-6-25/h4-9,20,23,27,29-30,33H,10-19,21-22,36H2,1-3H3,(H,37,41)/t29-,30+,33-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50373508
PNG
(CHEMBL404549)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C34H48ClN5O3/c1-22(2)32(37-33(41)24(4)36)28-19-23(3)5-10-31(28)38-13-15-39(16-14-38)34(42)30-21-40(27-11-17-43-18-12-27)20-29(30)25-6-8-26(35)9-7-25/h5-10,19,22,24,27,29-30,32H,11-18,20-21,36H2,1-4H3,(H,37,41)/t24-,29-,30+,32-/m0/s1
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n/an/an/an/a 5.20n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


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