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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50022487   
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))
BDBM50235751
PNG
(CHEMBL255007 | {4-[2-((S)-1-amino-2-methyl-propyl)...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(=O)[C@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C36H44ClN5O2/c1-23(2)33(38)30-20-24(3)8-13-32(30)40-16-18-41(19-17-40)36(44)34-29(25-9-11-28(37)12-10-25)14-15-42(34)35(43)31-21-26-6-4-5-7-27(26)22-39-31/h4-13,20,23,29,31,33-34,39H,14-19,21-22,38H2,1-3H3/t29-,31-,33+,34-/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 [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235759
PNG
((2R,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-met...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(=O)N(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H40ClN5O2/c1-19(2)26(31)24-18-20(3)6-11-25(24)33-14-16-34(17-15-33)28(36)27-23(21-7-9-22(30)10-8-21)12-13-35(27)29(37)32(4)5/h6-11,18-19,23,26-27H,12-17,31H2,1-5H3/t23-,26+,27-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235759
PNG
((2R,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-met...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(=O)N(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H40ClN5O2/c1-19(2)26(31)24-18-20(3)6-11-25(24)33-14-16-34(17-15-33)28(36)27-23(21-7-9-22(30)10-8-21)12-13-35(27)29(37)32(4)5/h6-11,18-19,23,26-27H,12-17,31H2,1-5H3/t23-,26+,27-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235776
PNG
(1-((2R,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(=O)C(C)(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H43ClN4O2/c1-20(2)27(33)25-19-21(3)7-12-26(25)34-15-17-35(18-16-34)29(37)28-24(22-8-10-23(32)11-9-22)13-14-36(28)30(38)31(4,5)6/h7-12,19-20,24,27-28H,13-18,33H2,1-6H3/t24-,27+,28-/m1/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 [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235752
PNG
(1-((2R,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(C)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O2/c1-18(2)26(30)24-17-19(3)5-10-25(24)31-13-15-32(16-14-31)28(35)27-23(11-12-33(27)20(4)34)21-6-8-22(29)9-7-21/h5-10,17-18,23,26-27H,11-16,30H2,1-4H3/t23-,26+,27-/m1/s1
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235767
PNG
((2R,3R)-ethyl 2-(1-(2-((S)-1-amino-2-methylpropyl)...)
Show SMILES CCOC(=O)N1CC[C@@H]([C@@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H39ClN4O3/c1-5-37-29(36)34-13-12-23(21-7-9-22(30)10-8-21)27(34)28(35)33-16-14-32(15-17-33)25-11-6-20(4)18-24(25)26(31)19(2)3/h6-11,18-19,23,26-27H,5,12-17,31H2,1-4H3/t23-,26+,27-/m1/s1
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235752
PNG
(1-((2R,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(C)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O2/c1-18(2)26(30)24-17-19(3)5-10-25(24)31-13-15-32(16-14-31)28(35)27-23(11-12-33(27)20(4)34)21-6-8-22(29)9-7-21/h5-10,17-18,23,26-27H,11-16,30H2,1-4H3/t23-,26+,27-/m1/s1
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235767
PNG
((2R,3R)-ethyl 2-(1-(2-((S)-1-amino-2-methylpropyl)...)
Show SMILES CCOC(=O)N1CC[C@@H]([C@@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H39ClN4O3/c1-5-37-29(36)34-13-12-23(21-7-9-22(30)10-8-21)27(34)28(35)33-16-14-32(15-17-33)25-11-6-20(4)18-24(25)26(31)19(2)3/h6-11,18-19,23,26-27H,5,12-17,31H2,1-4H3/t23-,26+,27-/m1/s1
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235755
PNG
((2R,3R)-isopropyl 2-(1-(2-((S)-1-amino-2-methylpro...)
Show SMILES CC(C)OC(=O)N1CC[C@@H]([C@@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H41ClN4O3/c1-19(2)27(32)25-18-21(5)6-11-26(25)33-14-16-34(17-15-33)29(36)28-24(22-7-9-23(31)10-8-22)12-13-35(28)30(37)38-20(3)4/h6-11,18-20,24,27-28H,12-17,32H2,1-5H3/t24-,27+,28-/m1/s1
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12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235763
PNG
((2R,3R)-methyl 2-(1-(2-((S)-1-amino-2-methylpropyl...)
Show SMILES COC(=O)N1CC[C@@H]([C@@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O3/c1-18(2)25(30)23-17-19(3)5-10-24(23)31-13-15-32(16-14-31)27(34)26-22(11-12-33(26)28(35)36-4)20-6-8-21(29)9-7-20/h5-10,17-18,22,25-26H,11-16,30H2,1-4H3/t22-,25+,26-/m1/s1
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17n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235763
PNG
((2R,3R)-methyl 2-(1-(2-((S)-1-amino-2-methylpropyl...)
Show SMILES COC(=O)N1CC[C@@H]([C@@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O3/c1-18(2)25(30)23-17-19(3)5-10-24(23)31-13-15-32(16-14-31)27(34)26-22(11-12-33(26)28(35)36-4)20-6-8-21(29)9-7-20/h5-10,17-18,22,25-26H,11-16,30H2,1-4H3/t22-,25+,26-/m1/s1
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18n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235753
PNG
((2R,3R)-ethyl 2-(1-(2-((S)-1-amino-2-methylpropyl)...)
Show SMILES CCOC(=O)N1CC[C@@H]([C@@H]1C(=O)N1CCN(CC1)c1ccc(Cl)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H36Cl2N4O3/c1-4-37-28(36)34-12-11-22(19-5-7-20(29)8-6-19)26(34)27(35)33-15-13-32(14-16-33)24-10-9-21(30)17-23(24)25(31)18(2)3/h5-10,17-18,22,25-26H,4,11-16,31H2,1-3H3/t22-,25+,26-/m1/s1
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18n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50191011
PNG
((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluo...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C26H32Cl2F3N3O/c1-16(2)12-23(32)21-14-19(26(29,30)31)5-7-24(21)33-8-10-34(11-9-33)25(35)17(3)13-18-4-6-20(27)15-22(18)28/h4-7,14-17,23H,8-13,32H2,1-3H3/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
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50191017
PNG
((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluo...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C26H33ClF3N3O/c1-17(2)14-23(31)22-16-20(26(28,29)30)6-9-24(22)32-10-12-33(13-11-32)25(34)18(3)15-19-4-7-21(27)8-5-19/h4-9,16-18,23H,10-15,31H2,1-3H3/t18-,23+/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 MC4 receptor


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214694
PNG
((R)-2-amino-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C25H31Cl2F3N4O/c1-15(2)11-21(31)19-13-17(25(28,29)30)4-6-23(19)33-7-9-34(10-8-33)24(35)22(32)12-16-3-5-18(26)14-20(16)27/h3-6,13-15,21-22H,7-12,31-32H2,1-2H3/t21-,22+/m0/s1
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39n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235758
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]1[C@H](CCN1S(C)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H37ClN4O3S/c1-18(2)25(29)23-17-19(3)5-10-24(23)30-13-15-31(16-14-30)27(33)26-22(11-12-32(26)36(4,34)35)20-6-8-21(28)9-7-20/h5-10,17-18,22,25-26H,11-16,29H2,1-4H3/t22-,25+,26-/m1/s1
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40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235787
PNG
((2S,3R)-ethyl 2-(1-(2-((S)-1-amino-2-methylpropyl)...)
Show SMILES CCOC(=O)N1CC[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H39ClN4O3/c1-5-37-29(36)34-13-12-23(21-7-9-22(30)10-8-21)27(34)28(35)33-16-14-32(15-17-33)25-11-6-20(4)18-24(25)26(31)19(2)3/h6-11,18-19,23,26-27H,5,12-17,31H2,1-4H3/t23-,26+,27+/m1/s1
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42n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235770
PNG
(1-((2R,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES COc1ccc(cc1)[C@H]1CCN([C@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)C(C)=O
Show InChI InChI=1S/C29H40N4O3/c1-19(2)27(30)25-18-20(3)6-11-26(25)31-14-16-32(17-15-31)29(35)28-24(12-13-33(28)21(4)34)22-7-9-23(36-5)10-8-22/h6-11,18-19,24,27-28H,12-17,30H2,1-5H3/t24-,27+,28-/m1/s1
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45n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235764
PNG
(CHEMBL258245 | cis-(4-(2-((S)-1-amino-2-methylprop...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1NCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C26H35ClN4O/c1-17(2)24(28)22-16-18(3)4-9-23(22)30-12-14-31(15-13-30)26(32)25-21(10-11-29-25)19-5-7-20(27)8-6-19/h4-9,16-17,21,24-25,29H,10-15,28H2,1-3H3/t21-,24+,25-/m1/s1
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52n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235774
PNG
(1-((2S,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CCCC(=O)N1CC[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H41ClN4O2/c1-5-6-27(36)35-14-13-24(22-8-10-23(31)11-9-22)29(35)30(37)34-17-15-33(16-18-34)26-12-7-21(4)19-25(26)28(32)20(2)3/h7-12,19-20,24,28-29H,5-6,13-18,32H2,1-4H3/t24-,28+,29+/m1/s1
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52n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235754
PNG
((2S,3S)-methyl 2-(1-(2-((S)-1-amino-2-methylpropyl...)
Show SMILES COC(=O)N1CC[C@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O3/c1-18(2)25(30)23-17-19(3)5-10-24(23)31-13-15-32(16-14-31)27(34)26-22(11-12-33(26)28(35)36-4)20-6-8-21(29)9-7-20/h5-10,17-18,22,25-26H,11-16,30H2,1-4H3/t22-,25-,26-/m0/s1
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53n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235765
PNG
(1-((2R,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(C)=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H37F3N4O2/c1-18(2)26(33)24-17-19(3)5-10-25(24)34-13-15-35(16-14-34)28(38)27-23(11-12-36(27)20(4)37)21-6-8-22(9-7-21)29(30,31)32/h5-10,17-18,23,26-27H,11-16,33H2,1-4H3/t23-,26+,27-/m1/s1
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54n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235760
PNG
(CHEMBL429853 | {4-[2-((S)-1-amino-2-methyl-propyl)...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1[C@H](CCN1C(=O)C1CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H41ClN4O2/c1-20(2)28(33)26-19-21(3)7-12-27(26)34-15-17-35(18-16-34)31(38)29-25(22-8-10-24(32)11-9-22)13-14-36(29)30(37)23-5-4-6-23/h7-12,19-20,23,25,28-29H,4-6,13-18,33H2,1-3H3/t25-,28+,29+/m1/s1
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55n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235757
PNG
((4-(2-((S)-1-amino-2-methylpropyl)-4-methylphenyl)...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)C1NCCC1c1ccc(Cl)cc1 |w:24.27,20.21|
Show InChI InChI=1S/C26H35ClN4O/c1-17(2)24(28)22-16-18(3)4-9-23(22)30-12-14-31(15-13-30)26(32)25-21(10-11-29-25)19-5-7-20(27)8-6-19/h4-9,16-17,21,24-25,29H,10-15,28H2,1-3H3/t21?,24-,25?/m0/s1
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56n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235769
PNG
((2S,3R)-methyl 2-(1-(2-((S)-1-amino-2-methylpropyl...)
Show SMILES COC(=O)N1CC[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O3/c1-18(2)25(30)23-17-19(3)5-10-24(23)31-13-15-32(16-14-31)27(34)26-22(11-12-33(26)28(35)36-4)20-6-8-21(29)9-7-20/h5-10,17-18,22,25-26H,11-16,30H2,1-4H3/t22-,25+,26+/m1/s1
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59n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235748
PNG
(1-((2S,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CCC(=O)N1CC[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H39ClN4O2/c1-5-26(35)34-13-12-23(21-7-9-22(30)10-8-21)28(34)29(36)33-16-14-32(15-17-33)25-11-6-20(4)18-24(25)27(31)19(2)3/h6-11,18-19,23,27-28H,5,12-17,31H2,1-4H3/t23-,27+,28+/m1/s1
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62n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235771
PNG
((2S,3R)-isopropyl 2-(1-(2-((S)-1-amino-2-methylpro...)
Show SMILES CC(C)OC(=O)N1CC[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H41ClN4O3/c1-19(2)27(32)25-18-21(5)6-11-26(25)33-14-16-34(17-15-33)29(36)28-24(22-7-9-23(31)10-8-22)12-13-35(28)30(37)38-20(3)4/h6-11,18-20,24,27-28H,12-17,32H2,1-5H3/t24-,27+,28+/m1/s1
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68n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235761
PNG
((2R,3R)-ethyl 2-(1-(2-((S)-1-amino-2-methylpropyl)...)
Show SMILES CCOC(=O)N1CC[C@@H]([C@@H]1C(=O)N1CCN(CC1)c1ccc(F)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H36ClFN4O3/c1-4-37-28(36)34-12-11-22(19-5-7-20(29)8-6-19)26(34)27(35)33-15-13-32(14-16-33)24-10-9-21(30)17-23(24)25(31)18(2)3/h5-10,17-18,22,25-26H,4,11-16,31H2,1-3H3/t22-,25+,26-/m1/s1
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74n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
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 MC4 receptor


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235782
PNG
(1-((2S,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1[C@H](CCN1C(C)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O2/c1-18(2)26(30)24-17-19(3)5-10-25(24)31-13-15-32(16-14-31)28(35)27-23(11-12-33(27)20(4)34)21-6-8-22(29)9-7-21/h5-10,17-18,23,26-27H,11-16,30H2,1-4H3/t23-,26+,27+/m1/s1
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78n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235762
PNG
(1-((2S,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1[C@H](CCN1C(=O)C(C)(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H43ClN4O2/c1-20(2)27(33)25-19-21(3)7-12-26(25)34-15-17-35(18-16-34)29(37)28-24(22-8-10-23(32)11-9-22)13-14-36(28)30(38)31(4,5)6/h7-12,19-20,24,27-28H,13-18,33H2,1-6H3/t24-,27+,28+/m1/s1
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79n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235750
PNG
(CHEMBL256956 | {4-[2-((S)-1-amino-2-methyl-propyl)...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1[C@H](CCN1C(=O)[C@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1
Show InChI InChI=1S/C36H44ClN5O2/c1-23(2)33(38)30-20-24(3)8-13-32(30)40-16-18-41(19-17-40)36(44)34-29(25-9-11-28(37)12-10-25)14-15-42(34)35(43)31-21-26-6-4-5-7-27(26)22-39-31/h4-13,20,23,29,31,33-34,39H,14-19,21-22,38H2,1-3H3/t29-,31-,33+,34+/m1/s1
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92n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235773
PNG
((2R,3R)-ethyl 2-(1-(2-((S)-1-amino-2-methylpropyl)...)
Show SMILES CCOC(=O)N1CC[C@@H]([C@@H]1C(=O)N1CCN(CC1)c1ccccc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O3/c1-4-36-28(35)33-14-13-22(20-9-11-21(29)12-10-20)26(33)27(34)32-17-15-31(16-18-32)24-8-6-5-7-23(24)25(30)19(2)3/h5-12,19,22,25-26H,4,13-18,30H2,1-3H3/t22-,25+,26-/m1/s1
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94n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235768
PNG
((4-(2-((S)-1-amino-3-methylbutyl)-4-chlorophenyl)p...)
Show SMILES CC(C)C[C@H](N)c1cc(Cl)ccc1N1CCN(CC1)C(=O)C1NCCC1c1ccc(Cl)cc1 |w:25.28,21.22|
Show InChI InChI=1S/C26H34Cl2N4O/c1-17(2)15-23(29)22-16-20(28)7-8-24(22)31-11-13-32(14-12-31)26(33)25-21(9-10-30-25)18-3-5-19(27)6-4-18/h3-8,16-17,21,23,25,30H,9-15,29H2,1-2H3/t21?,23-,25?/m0/s1
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96n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235766
PNG
(1-((2R,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(C)=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H40N4O2/c1-19(2)27(30)25-18-21(4)8-11-26(25)31-14-16-32(17-15-31)29(35)28-24(12-13-33(28)22(5)34)23-9-6-20(3)7-10-23/h6-11,18-19,24,27-28H,12-17,30H2,1-5H3/t24-,27+,28-/m1/s1
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97n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235786
PNG
((4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluorometh...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)C1NCCC1c1ccc(Cl)cc1)C(F)(F)F |w:20.21,24.27|
Show InChI InChI=1S/C27H34ClF3N4O/c1-17(2)15-23(32)22-16-19(27(29,30)31)5-8-24(22)34-11-13-35(14-12-34)26(36)25-21(9-10-33-25)18-3-6-20(28)7-4-18/h3-8,16-17,21,23,25,33H,9-15,32H2,1-2H3/t21?,23-,25?/m0/s1
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98n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235775
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]1[C@H](CCN1C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H41ClN4O/c1-19(2)27(31)25-18-21(5)6-11-26(25)32-14-16-33(17-15-32)29(35)28-24(12-13-34(28)20(3)4)22-7-9-23(30)10-8-22/h6-11,18-20,24,27-28H,12-17,31H2,1-5H3/t24-,27+,28-/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 [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235772
PNG
((4-(2-((S)-1-amino-2-methylpropyl)-6-fluorophenyl)...)
Show SMILES CC(C)[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)C1NCCC1c1ccc(Cl)cc1 |w:24.27,20.21|
Show InChI InChI=1S/C25H32ClFN4O/c1-16(2)22(28)20-4-3-5-21(27)24(20)30-12-14-31(15-13-30)25(32)23-19(10-11-29-23)17-6-8-18(26)9-7-17/h3-9,16,19,22-23,29H,10-15,28H2,1-2H3/t19?,22-,23?/m0/s1
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110n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235784
PNG
(1-((2S,3S)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1[C@@H](CCN1C(C)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O2/c1-18(2)26(30)24-17-19(3)5-10-25(24)31-13-15-32(16-14-31)28(35)27-23(11-12-33(27)20(4)34)21-6-8-22(29)9-7-21/h5-10,17-18,23,26-27H,11-16,30H2,1-4H3/t23-,26-,27-/m0/s1
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120n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235779
PNG
((2S,3S)-ethyl 2-(1-(2-((S)-1-amino-2-methylpropyl)...)
Show SMILES CCOC(=O)N1CC[C@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H39ClN4O3/c1-5-37-29(36)34-13-12-23(21-7-9-22(30)10-8-21)27(34)28(35)33-16-14-32(15-17-33)25-11-6-20(4)18-24(25)26(31)19(2)3/h6-11,18-19,23,26-27H,5,12-17,31H2,1-4H3/t23-,26-,27-/m0/s1
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130n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235749
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]1[C@H](CCN1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H37ClN4O/c1-18(2)25(29)23-17-19(3)5-10-24(23)31-13-15-32(16-14-31)27(33)26-22(11-12-30(26)4)20-6-8-21(28)9-7-20/h5-10,17-18,22,25-26H,11-16,29H2,1-4H3/t22-,25+,26-/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 [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235783
PNG
(1-((2R,3S)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@@H](CCN1C(C)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H37ClN4O2/c1-18(2)26(30)24-17-19(3)5-10-25(24)31-13-15-32(16-14-31)28(35)27-23(11-12-33(27)20(4)34)21-6-8-22(29)9-7-21/h5-10,17-18,23,26-27H,11-16,30H2,1-4H3/t23-,26-,27+/m0/s1
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180n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235747
PNG
((2S,3S)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-met...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1[C@@H](CCN1C(=O)N(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H40ClN5O2/c1-19(2)26(31)24-18-20(3)6-11-25(24)33-14-16-34(17-15-33)28(36)27-23(21-7-9-22(30)10-8-21)12-13-35(27)29(37)32(4)5/h6-11,18-19,23,26-27H,12-17,31H2,1-5H3/t23-,26-,27-/m0/s1
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190n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235746
PNG
((4-(2-((S)-1-amino-3-methylbutyl)-4-chlorophenyl)p...)
Show SMILES CC(C)C[C@H](N)c1cc(Cl)ccc1N1CCN(CC1)C(=O)C1NCCC1c1ccc(Cl)cc1Cl |w:25.28,21.22|
Show InChI InChI=1S/C26H33Cl3N4O/c1-16(2)13-23(30)21-14-17(27)4-6-24(21)32-9-11-33(12-10-32)26(34)25-20(7-8-31-25)19-5-3-18(28)15-22(19)29/h3-6,14-16,20,23,25,31H,7-13,30H2,1-2H3/t20?,23-,25?/m0/s1
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190n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235781
PNG
(1-((2R,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(C)=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H37FN4O2/c1-18(2)26(30)24-17-19(3)5-10-25(24)31-13-15-32(16-14-31)28(35)27-23(11-12-33(27)20(4)34)21-6-8-22(29)9-7-21/h5-10,17-18,23,26-27H,11-16,30H2,1-4H3/t23-,26+,27-/m1/s1
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330n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235777
PNG
(5-(1-(2-((S)-1-amino-3-methylbutyl)-4-(trifluorome...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)C1NC(=O)CC1c1ccc(Cl)cc1)C(F)(F)F |w:20.21,25.28|
Show InChI InChI=1S/C27H32ClF3N4O2/c1-16(2)13-22(32)21-14-18(27(29,30)31)5-8-23(21)34-9-11-35(12-10-34)26(37)25-20(15-24(36)33-25)17-3-6-19(28)7-4-17/h3-8,14,16,20,22,25H,9-13,15,32H2,1-2H3,(H,33,36)/t20?,22-,25?/m0/s1
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340n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235785
PNG
(4-(4-chlorobenzyl)-4-(1-(2-((S)-1-amino-3-methylbu...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)C1(Cc2ccc(Cl)cc2)COC(=O)N1)C(F)(F)F
Show InChI InChI=1S/C27H32ClF3N4O3/c1-17(2)13-22(32)21-14-19(27(29,30)31)5-8-23(21)34-9-11-35(12-10-34)24(36)26(16-38-25(37)33-26)15-18-3-6-20(28)7-4-18/h3-8,14,17,22H,9-13,15-16,32H2,1-2H3,(H,33,37)/t22-,26?/m0/s1
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550n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235780
PNG
((4-(2-((S)-1-amino-2-methylpropyl)-6-fluorophenyl)...)
Show SMILES CC(C)[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)C1NCCC1c1ccc(Cl)cc1Cl |w:24.27,20.21|
Show InChI InChI=1S/C25H31Cl2FN4O/c1-15(2)22(29)19-4-3-5-21(28)24(19)31-10-12-32(13-11-31)25(33)23-18(8-9-30-23)17-7-6-16(26)14-20(17)27/h3-7,14-15,18,22-23,30H,8-13,29H2,1-2H3/t18?,22-,23?/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 [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50230273
PNG
((S)-1-(4-(2-(1-amino-3-methylbutyl)-4-(trifluorome...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)C(C)(C)Cc1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C27H35ClF3N3O/c1-18(2)15-23(32)22-16-20(27(29,30)31)7-10-24(22)33-11-13-34(14-12-33)25(35)26(3,4)17-19-5-8-21(28)9-6-19/h5-10,16,18,23H,11-15,17,32H2,1-4H3/t23-/m0/s1
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810n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50235778
PNG
(1-((2R,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1[C@H](CCN1C(C)=O)c1ccccc1
Show InChI InChI=1S/C28H38N4O2/c1-19(2)26(29)24-18-20(3)10-11-25(24)30-14-16-31(17-15-30)28(34)27-23(12-13-32(27)21(4)33)22-8-6-5-7-9-22/h5-11,18-19,23,26-27H,12-17,29H2,1-4H3/t23-,26+,27-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
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