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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50017810   
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))
BDBM50186909
PNG
((R)-N-(1-(4-(2-((2-methoxyphenethylamino)methyl)ph...)
Show SMILES COc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C32H39Cl2N5O3/c1-42-30-9-5-3-6-23(30)13-15-36-22-25-7-2-4-8-29(25)38-16-18-39(19-17-38)32(41)28(37-31(40)12-14-35)20-24-10-11-26(33)21-27(24)34/h2-11,21,28,36H,12-20,22,35H2,1H3,(H,37,40)/t28-/m1/s1
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1.60n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50158484
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 |r|
Show InChI InChI=1S/C29H35Cl2N5O2S/c30-23-8-7-21(25(31)19-23)18-26(34-28(37)9-11-32)29(38)36-15-13-35(14-16-36)27-6-2-1-4-22(27)20-33-12-10-24-5-3-17-39-24/h1-8,17,19,26,33H,9-16,18,20,32H2,(H,34,37)/t26-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50166519
PNG
((R)-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(2-((2-(t...)
Show SMILES CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
Show InChI InChI=1S/C28H32Cl2N4O2S/c1-20(35)32-26(17-21-8-9-23(29)18-25(21)30)28(36)34-14-12-33(13-15-34)27-7-3-2-5-22(27)19-31-11-10-24-6-4-16-37-24/h2-9,16,18,26,31H,10-15,17,19H2,1H3,(H,32,35)/t26-/m1/s1
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2.40n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50168653
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(1-((2-...)
Show SMILES COc1ccc(CC(=O)NCC2(CCCCC2)N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)cc1
Show InChI InChI=1S/C32H43Cl2N5O4/c1-43-26-9-5-23(6-10-26)19-30(41)36-22-32(12-3-2-4-13-32)39-17-15-38(16-18-39)31(42)28(37-29(40)11-14-35)20-24-7-8-25(33)21-27(24)34/h5-10,21,28H,2-4,11-20,22,35H2,1H3,(H,36,41)(H,37,40)/t28-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186876
PNG
((R)-N-(1-(4-(3-((2-methoxyphenethylamino)methyl)py...)
Show SMILES COc1ccccc1CCNCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C31H38Cl2N6O3/c1-42-28-7-3-2-5-22(28)11-14-35-21-24-6-4-13-36-30(24)38-15-17-39(18-16-38)31(41)27(37-29(40)10-12-34)19-23-8-9-25(32)20-26(23)33/h2-9,13,20,27,35H,10-12,14-19,21,34H2,1H3,(H,37,40)/t27-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186893
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-((1-...)
Show SMILES COCC(C)NCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C27H37Cl2N5O3/c1-19(18-37-2)31-17-21-5-3-4-6-25(21)33-11-13-34(14-12-33)27(36)24(32-26(35)9-10-30)15-20-7-8-22(28)16-23(20)29/h3-8,16,19,24,31H,9-15,17-18,30H2,1-2H3,(H,32,35)/t19?,24-/m1/s1
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8.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186883
PNG
((R)-N-(1-(4-(3-((2-methoxyphenethylamino)methyl)py...)
Show SMILES COc1ccccc1CCNCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(C)=O
Show InChI InChI=1S/C30H35Cl2N5O3/c1-21(38)35-27(18-23-9-10-25(31)19-26(23)32)30(39)37-16-14-36(15-17-37)29-24(7-5-12-34-29)20-33-13-11-22-6-3-4-8-28(22)40-2/h3-10,12,19,27,33H,11,13-18,20H2,1-2H3,(H,35,38)/t27-/m1/s1
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10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186890
PNG
((R)-N-(1-(4-(3-((2-fluorophenethylamino)methyl)pyr...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNCCc1ccccc1F
Show InChI InChI=1S/C30H35Cl2FN6O2/c31-24-8-7-22(25(32)19-24)18-27(37-28(40)9-11-34)30(41)39-16-14-38(15-17-39)29-23(5-3-12-36-29)20-35-13-10-21-4-1-2-6-26(21)33/h1-8,12,19,27,35H,9-11,13-18,20,34H2,(H,37,40)/t27-/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 [125I]NDP-MSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186900
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNCCc1cccs1
Show InChI InChI=1S/C28H34Cl2N6O2S/c29-22-6-5-20(24(30)18-22)17-25(34-26(37)7-9-31)28(38)36-14-12-35(13-15-36)27-21(3-1-10-33-27)19-32-11-8-23-4-2-16-39-23/h1-6,10,16,18,25,32H,7-9,11-15,17,19,31H2,(H,34,37)/t25-/m1/s1
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15n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186889
PNG
((R)-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(3-((2-(t...)
Show SMILES CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNCCc1cccs1
Show InChI InChI=1S/C27H31Cl2N5O2S/c1-19(35)32-25(16-20-6-7-22(28)17-24(20)29)27(36)34-13-11-33(12-14-34)26-21(4-2-9-31-26)18-30-10-8-23-5-3-15-37-23/h2-7,9,15,17,25,30H,8,10-14,16,18H2,1H3,(H,32,35)/t25-/m1/s1
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21n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50168678
PNG
((R)-1-((1-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES COc1ccc(NC(=O)NCC2(CCCCC2)N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)cc1
Show InChI InChI=1S/C31H42Cl2N6O4/c1-43-25-9-7-24(8-10-25)36-30(42)35-21-31(12-3-2-4-13-31)39-17-15-38(16-18-39)29(41)27(37-28(40)11-14-34)19-22-5-6-23(32)20-26(22)33/h5-10,20,27H,2-4,11-19,21,34H2,1H3,(H,37,40)(H2,35,36,42)/t27-/m1/s1
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36n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186886
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(3-((1-...)
Show SMILES COCC(C)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C26H36Cl2N6O3/c1-18(17-37-2)31-16-20-4-3-9-30-25(20)33-10-12-34(13-11-33)26(36)23(32-24(35)7-8-29)14-19-5-6-21(27)15-22(19)28/h3-6,9,15,18,23,31H,7-8,10-14,16-17,29H2,1-2H3,(H,32,35)/t18?,23-/m1/s1
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87n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186906
PNG
((R)-N-(1-(4-(3-((2-fluorobenzylamino)methyl)pyridi...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNCc1ccccc1F
Show InChI InChI=1S/C29H33Cl2FN6O2/c30-23-8-7-20(24(31)17-23)16-26(36-27(39)9-10-33)29(40)38-14-12-37(13-15-38)28-22(5-3-11-35-28)19-34-18-21-4-1-2-6-25(21)32/h1-8,11,17,26,34H,9-10,12-16,18-19,33H2,(H,36,39)/t26-/m1/s1
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130n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186879
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNCC(F)(F)F
Show InChI InChI=1S/C24H29Cl2F3N6O2/c25-18-4-3-16(19(26)13-18)12-20(33-21(36)5-6-30)23(37)35-10-8-34(9-11-35)22-17(2-1-7-32-22)14-31-15-24(27,28)29/h1-4,7,13,20,31H,5-6,8-12,14-15,30H2,(H,33,36)/t20-/m1/s1
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170n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186887
PNG
(CHEMBL212308 | N-((R)-3-(2,4-dichlorophenyl)-1-(4-...)
Show SMILES COCC(C)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(C)=O
Show InChI InChI=1S/C25H33Cl2N5O3/c1-17(16-35-3)29-15-20-5-4-8-28-24(20)31-9-11-32(12-10-31)25(34)23(30-18(2)33)13-19-6-7-21(26)14-22(19)27/h4-8,14,17,23,29H,9-13,15-16H2,1-3H3,(H,30,33)/t17?,23-/m1/s1
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180n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186895
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(3-((1-...)
Show SMILES CCC(COC)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C27H38Cl2N6O3/c1-3-22(18-38-2)32-17-20-5-4-10-31-26(20)34-11-13-35(14-12-34)27(37)24(33-25(36)8-9-30)15-19-6-7-21(28)16-23(19)29/h4-7,10,16,22,24,32H,3,8-9,11-15,17-18,30H2,1-2H3,(H,33,36)/t22?,24-/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 MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50168649
PNG
((R)-N-((1-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES COc1ccc(cc1)C(=O)NCC1(CCCCC1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C31H41Cl2N5O4/c1-42-25-9-6-22(7-10-25)29(40)35-21-31(12-3-2-4-13-31)38-17-15-37(16-18-38)30(41)27(36-28(39)11-14-34)19-23-5-8-24(32)20-26(23)33/h5-10,20,27H,2-4,11-19,21,34H2,1H3,(H,35,40)(H,36,39)/t27-/m1/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 MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186888
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-oxo-1-(4-(...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)Cc1cccs1
Show InChI InChI=1S/C28H32Cl2N6O3S/c29-21-6-5-19(23(30)16-21)15-24(34-25(37)7-8-31)28(39)36-12-10-35(11-13-36)27-20(3-1-9-32-27)18-33-26(38)17-22-4-2-14-40-22/h1-6,9,14,16,24H,7-8,10-13,15,17-18,31H2,(H,33,38)(H,34,37)/t24-/m1/s1
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310n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186885
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(3-((2-...)
Show SMILES COc1ccccc1CC(=O)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C31H36Cl2N6O4/c1-43-27-7-3-2-5-22(27)18-29(41)36-20-23-6-4-12-35-30(23)38-13-15-39(16-14-38)31(42)26(37-28(40)10-11-34)17-21-8-9-24(32)19-25(21)33/h2-9,12,19,26H,10-11,13-18,20,34H2,1H3,(H,36,41)(H,37,40)/t26-/m1/s1
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360n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186913
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(3-((1-...)
Show SMILES CC(CO)NCc1cccnc1N1CCN(CC1C)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C26H36Cl2N6O3/c1-17(16-35)31-14-20-4-3-9-30-25(20)34-11-10-33(15-18(34)2)26(37)23(32-24(36)7-8-29)12-19-5-6-21(27)13-22(19)28/h3-6,9,13,17-18,23,31,35H,7-8,10-12,14-16,29H2,1-2H3,(H,32,36)/t17?,18?,23-/m1/s1
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420n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186899
PNG
((R)-benzyl (2-(4-(2-(3-aminopropanamido)-3-(2,4-di...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H34Cl2N6O4/c31-24-9-8-22(25(32)18-24)17-26(36-27(39)10-11-33)29(40)38-15-13-37(14-16-38)28-23(7-4-12-34-28)19-35-30(41)42-20-21-5-2-1-3-6-21/h1-9,12,18,26H,10-11,13-17,19-20,33H2,(H,35,41)(H,36,39)/t26-/m1/s1
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440n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186896
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(3-((2-...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)Cc1ccccc1F
Show InChI InChI=1S/C30H33Cl2FN6O3/c31-23-8-7-20(24(32)18-23)16-26(37-27(40)9-10-34)30(42)39-14-12-38(13-15-39)29-22(5-3-11-35-29)19-36-28(41)17-21-4-1-2-6-25(21)33/h1-8,11,18,26H,9-10,12-17,19,34H2,(H,36,41)(H,37,40)/t26-/m1/s1
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450n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186901
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(3-((1-...)
Show SMILES CC(C)(CO)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C26H36Cl2N6O3/c1-26(2,17-35)31-16-19-4-3-9-30-24(19)33-10-12-34(13-11-33)25(37)22(32-23(36)7-8-29)14-18-5-6-20(27)15-21(18)28/h3-6,9,15,22,31,35H,7-8,10-14,16-17,29H2,1-2H3,(H,32,36)/t22-/m1/s1
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480n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186912
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(3-((2-...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNCCO
Show InChI InChI=1S/C24H32Cl2N6O3/c25-19-4-3-17(20(26)15-19)14-21(30-22(34)5-6-27)24(35)32-11-9-31(10-12-32)23-18(2-1-7-29-23)16-28-8-13-33/h1-4,7,15,21,28,33H,5-6,8-14,16,27H2,(H,30,34)/t21-/m1/s1
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520n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186902
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(3-((2-...)
Show SMILES COc1ccc(CC(=O)NCc2cccnc2N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)cc1
Show InChI InChI=1S/C31H36Cl2N6O4/c1-43-25-8-4-21(5-9-25)17-29(41)36-20-23-3-2-12-35-30(23)38-13-15-39(16-14-38)31(42)27(37-28(40)10-11-34)18-22-6-7-24(32)19-26(22)33/h2-9,12,19,27H,10-11,13-18,20,34H2,1H3,(H,36,41)(H,37,40)/t27-/m1/s1
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550n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186891
PNG
((R)-1-(2-methoxybenzyl)-3-((2-(4-(2-(3-aminopropan...)
Show SMILES COc1ccccc1CNC(=O)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C31H37Cl2N7O4/c1-44-27-7-3-2-5-22(27)19-36-31(43)37-20-23-6-4-12-35-29(23)39-13-15-40(16-14-39)30(42)26(38-28(41)10-11-34)17-21-8-9-24(32)18-25(21)33/h2-9,12,18,26H,10-11,13-17,19-20,34H2,1H3,(H,38,41)(H2,36,37,43)/t26-/m1/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 MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186904
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(3-((1-...)
Show SMILES CCC(CO)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C26H36Cl2N6O3/c1-2-21(17-35)31-16-19-4-3-9-30-25(19)33-10-12-34(13-11-33)26(37)23(32-24(36)7-8-29)14-18-5-6-20(27)15-22(18)28/h3-6,9,15,21,23,31,35H,2,7-8,10-14,16-17,29H2,1H3,(H,32,36)/t21?,23-/m1/s1
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710n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186882
PNG
((R)-1-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C29H33Cl2N7O3/c30-22-9-8-20(24(31)18-22)17-25(36-26(39)10-11-32)28(40)38-15-13-37(14-16-38)27-21(5-4-12-33-27)19-34-29(41)35-23-6-2-1-3-7-23/h1-9,12,18,25H,10-11,13-17,19,32H2,(H,36,39)(H2,34,35,41)/t25-/m1/s1
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710n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186905
PNG
((R)-1-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)NCc1cccs1
Show InChI InChI=1S/C28H33Cl2N7O3S/c29-21-6-5-19(23(30)16-21)15-24(35-25(38)7-8-31)27(39)37-12-10-36(11-13-37)26-20(3-1-9-32-26)17-33-28(40)34-18-22-4-2-14-41-22/h1-6,9,14,16,24H,7-8,10-13,15,17-18,31H2,(H,35,38)(H2,33,34,40)/t24-/m1/s1
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750n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186914
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(3-((2-...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H33Cl2FN6O3/c31-23-6-5-21(25(32)18-23)17-26(37-27(40)9-10-34)30(42)39-14-12-38(13-15-39)29-22(2-1-11-35-29)19-36-28(41)16-20-3-7-24(33)8-4-20/h1-8,11,18,26H,9-10,12-17,19,34H2,(H,36,41)(H,37,40)/t26-/m1/s1
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1.00E+3n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186877
PNG
((R)-1-(2-fluorobenzyl)-3-((2-(4-(2-(3-aminopropana...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)NCc1ccccc1F
Show InChI InChI=1S/C30H34Cl2FN7O3/c31-23-8-7-20(24(32)17-23)16-26(38-27(41)9-10-34)29(42)40-14-12-39(13-15-40)28-22(5-3-11-35-28)19-37-30(43)36-18-21-4-1-2-6-25(21)33/h1-8,11,17,26H,9-10,12-16,18-19,34H2,(H,38,41)(H2,36,37,43)/t26-/m1/s1
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1.00E+3n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186881
PNG
((R)-1-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)Nc1ccccc1F
Show InChI InChI=1S/C29H32Cl2FN7O3/c30-21-8-7-19(22(31)17-21)16-25(36-26(40)9-10-33)28(41)39-14-12-38(13-15-39)27-20(4-3-11-34-27)18-35-29(42)37-24-6-2-1-5-23(24)32/h1-8,11,17,25H,9-10,12-16,18,33H2,(H,36,40)(H2,35,37,42)/t25-/m1/s1
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1.10E+3n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186884
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(3-((2-...)
Show SMILES COCC(=O)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C25H32Cl2N6O4/c1-37-16-23(35)30-15-18-3-2-8-29-24(18)32-9-11-33(12-10-32)25(36)21(31-22(34)6-7-28)13-17-4-5-19(26)14-20(17)27/h2-5,8,14,21H,6-7,9-13,15-16,28H2,1H3,(H,30,35)(H,31,34)/t21-/m1/s1
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1.20E+3n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186911
PNG
((R)-phenyl (2-(4-(2-(3-aminopropanamido)-3-(2,4-di...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)Oc1ccccc1
Show InChI InChI=1S/C29H32Cl2N6O4/c30-22-9-8-20(24(31)18-22)17-25(35-26(38)10-11-32)28(39)37-15-13-36(14-16-37)27-21(5-4-12-33-27)19-34-29(40)41-23-6-2-1-3-7-23/h1-9,12,18,25H,10-11,13-17,19,32H2,(H,34,40)(H,35,38)/t25-/m1/s1
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1.20E+3n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186907
PNG
((R)-1-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES COc1ccccc1NC(=O)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C30H35Cl2N7O4/c1-43-26-7-3-2-6-24(26)37-30(42)35-19-21-5-4-12-34-28(21)38-13-15-39(16-14-38)29(41)25(36-27(40)10-11-33)17-20-8-9-22(31)18-23(20)32/h2-9,12,18,25H,10-11,13-17,19,33H2,1H3,(H,36,40)(H2,35,37,42)/t25-/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
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186910
PNG
((R)-1-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES CC(C)NC(=O)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C26H35Cl2N7O3/c1-17(2)32-26(38)31-16-19-4-3-9-30-24(19)34-10-12-35(13-11-34)25(37)22(33-23(36)7-8-29)14-18-5-6-20(27)15-21(18)28/h3-6,9,15,17,22H,7-8,10-14,16,29H2,1-2H3,(H,33,36)(H2,31,32,38)/t22-/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
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186880
PNG
((R)-N-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES COc1ccc(cc1)C(=O)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C30H34Cl2N6O4/c1-42-24-8-5-20(6-9-24)29(40)35-19-22-3-2-12-34-28(22)37-13-15-38(16-14-37)30(41)26(36-27(39)10-11-33)17-21-4-7-23(31)18-25(21)32/h2-9,12,18,26H,10-11,13-17,19,33H2,1H3,(H,35,40)(H,36,39)/t26-/m1/s1
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1.50E+3n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186894
PNG
((R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(3-((1,...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(CO)CO
Show InChI InChI=1S/C25H34Cl2N6O4/c26-19-4-3-17(21(27)13-19)12-22(31-23(36)5-6-28)25(37)33-10-8-32(9-11-33)24-18(2-1-7-29-24)14-30-20(15-34)16-35/h1-4,7,13,20,22,30,34-35H,5-6,8-12,14-16,28H2,(H,31,36)/t22-/m1/s1
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1.50E+3n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186878
PNG
((R)-2-methoxyphenyl (2-(4-(2-(3-aminopropanamido)-...)
Show SMILES COc1ccccc1OC(=O)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C30H34Cl2N6O5/c1-42-25-6-2-3-7-26(25)43-30(41)35-19-21-5-4-12-34-28(21)37-13-15-38(16-14-37)29(40)24(36-27(39)10-11-33)17-20-8-9-22(31)18-23(20)32/h2-9,12,18,24H,10-11,13-17,19,33H2,1H3,(H,35,41)(H,36,39)/t24-/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 [125I]NDP-MSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186892
PNG
((R)-N-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)c1ccccc1
Show InChI InChI=1S/C29H32Cl2N6O3/c30-23-9-8-21(24(31)18-23)17-25(35-26(38)10-11-32)29(40)37-15-13-36(14-16-37)27-22(7-4-12-33-27)19-34-28(39)20-5-2-1-3-6-20/h1-9,12,18,25H,10-11,13-17,19,32H2,(H,34,39)(H,35,38)/t25-/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 [125I]NDP-MSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186898
PNG
((R)-N-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)c1cccs1
Show InChI InChI=1S/C27H30Cl2N6O3S/c28-20-6-5-18(21(29)16-20)15-22(33-24(36)7-8-30)27(38)35-12-10-34(11-13-35)25-19(3-1-9-31-25)17-32-26(37)23-4-2-14-39-23/h1-6,9,14,16,22H,7-8,10-13,15,17,30H2,(H,32,37)(H,33,36)/t22-/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 [125I]NDP-MSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50186876
PNG
((R)-N-(1-(4-(3-((2-methoxyphenethylamino)methyl)py...)
Show SMILES COc1ccccc1CCNCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C31H38Cl2N6O3/c1-42-28-7-3-2-5-22(28)11-14-35-21-24-6-4-13-36-30(24)38-15-17-39(18-16-38)31(41)27(37-29(40)10-12-34)19-23-8-9-25(32)20-26(23)33/h2-9,13,20,27,35H,10-12,14-19,21,34H2,1H3,(H,37,40)/t27-/m1/s1
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2.10E+3n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186908
PNG
((R)-N-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H31Cl2FN6O3/c30-22-6-3-20(24(31)17-22)16-25(36-26(39)9-10-33)29(41)38-14-12-37(13-15-38)27-21(2-1-11-34-27)18-35-28(40)19-4-7-23(32)8-5-19/h1-8,11,17,25H,9-10,12-16,18,33H2,(H,35,40)(H,36,39)/t25-/m1/s1
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2.20E+3n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186903
PNG
((R)-N-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)c1ccco1
Show InChI InChI=1S/C27H30Cl2N6O4/c28-20-6-5-18(21(29)16-20)15-22(33-24(36)7-8-30)27(38)35-12-10-34(11-13-35)25-19(3-1-9-31-25)17-32-26(37)23-4-2-14-39-23/h1-6,9,14,16,22H,7-8,10-13,15,17,30H2,(H,32,37)(H,33,36)/t22-/m1/s1
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2.60E+3n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50186897
PNG
((R)-N-(1-(4-(3-(acetamidomethyl)pyridin-2-yl)piper...)
Show SMILES CC(=O)NCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C24H30Cl2N6O3/c1-16(33)29-15-18-3-2-8-28-23(18)31-9-11-32(12-10-31)24(35)21(30-22(34)6-7-27)13-17-4-5-19(25)14-20(17)26/h2-5,8,14,21H,6-7,9-13,15,27H2,1H3,(H,29,33)(H,30,34)/t21-/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50186876
PNG
((R)-N-(1-(4-(3-((2-methoxyphenethylamino)methyl)py...)
Show SMILES COc1ccccc1CCNCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
Show InChI InChI=1S/C31H38Cl2N6O3/c1-42-28-7-3-2-5-22(28)11-14-35-21-24-6-4-13-36-30(24)38-15-17-39(18-16-38)31(41)27(37-29(40)10-12-34)19-23-8-9-25(32)20-26(23)33/h2-9,13,20,27,35H,10-12,14-19,21,34H2,1H3,(H,37,40)/t27-/m1/s1
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5.00E+3n/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 Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair