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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50003235   
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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50468287
PNG
(CHEMBL4292317)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C33H41FN6O5/c1-3-4-9-26(31(43)38-27(30(35)42)18-22-19-36-25-10-6-5-8-24(22)25)37-32(44)28(17-21-12-14-23(34)15-13-21)39-33(45)29-11-7-16-40(29)20(2)41/h5-6,8,10,12-15,19,26-29,36H,3-4,7,9,11,16-18H2,1-2H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27-,28+,29-/m0/s1
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n/an/a 0.740n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50027084
PNG
(Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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n/an/a 1n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50468288
PNG
(CHEMBL4286957)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C33H41ClN6O5/c1-3-4-9-26(31(43)38-27(30(35)42)18-22-19-36-25-10-6-5-8-24(22)25)37-32(44)28(17-21-12-14-23(34)15-13-21)39-33(45)29-11-7-16-40(29)20(2)41/h5-6,8,10,12-15,19,26-29,36H,3-4,7,9,11,16-18H2,1-2H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27-,28+,29-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50027084
PNG
(Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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n/an/a 2n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50468289
PNG
(CHEMBL4281687)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41F3N6O5/c1-3-4-9-26(31(46)41-27(30(38)45)18-22-19-39-25-10-6-5-8-24(22)25)40-32(47)28(17-21-12-14-23(15-13-21)34(35,36)37)42-33(48)29-11-7-16-43(29)20(2)44/h5-6,8,10,12-15,19,26-29,39H,3-4,7,9,11,16-18H2,1-2H3,(H2,38,45)(H,40,47)(H,41,46)(H,42,48)/t26-,27-,28+,29-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50027084
PNG
(Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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n/an/a 2.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50027084
PNG
(Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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n/an/a 4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50468281
PNG
(CHEMBL4294862)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C33H41BrN6O5/c1-3-4-9-26(31(43)38-27(30(35)42)18-22-19-36-25-10-6-5-8-24(22)25)37-32(44)28(17-21-12-14-23(34)15-13-21)39-33(45)29-11-7-16-40(29)20(2)41/h5-6,8,10,12-15,19,26-29,36H,3-4,7,9,11,16-18H2,1-2H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27-,28+,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50468286
PNG
(CHEMBL4285535)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C35H41F3N8O5/c1-3-4-8-27(32(49)45-28(31(39)48)15-22-17-41-26-9-6-5-7-25(22)26)44-33(50)29(14-21-10-12-23(13-11-21)35(36,37)38)46-34(51)30(43-20(2)47)16-24-18-40-19-42-24/h5-7,9-13,17-19,27-30,41H,3-4,8,14-16H2,1-2H3,(H2,39,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)/t27-,28-,29+,30-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50468283
PNG
(CHEMBL4278563)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H42N8O5/c1-3-4-13-27(32(45)41-28(31(35)44)16-23-18-37-26-14-9-8-12-25(23)26)40-33(46)29(15-22-10-6-5-7-11-22)42-34(47)30(39-21(2)43)17-24-19-36-20-38-24/h5-12,14,18-20,27-30,37H,3-4,13,15-17H2,1-2H3,(H2,35,44)(H,36,38)(H,39,43)(H,40,46)(H,41,45)(H,42,47)/t27-,28-,29+,30-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468287
PNG
(CHEMBL4292317)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C33H41FN6O5/c1-3-4-9-26(31(43)38-27(30(35)42)18-22-19-36-25-10-6-5-8-24(22)25)37-32(44)28(17-21-12-14-23(34)15-13-21)39-33(45)29-11-7-16-40(29)20(2)41/h5-6,8,10,12-15,19,26-29,36H,3-4,7,9,11,16-18H2,1-2H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27-,28+,29-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50468283
PNG
(CHEMBL4278563)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H42N8O5/c1-3-4-13-27(32(45)41-28(31(35)44)16-23-18-37-26-14-9-8-12-25(23)26)40-33(46)29(15-22-10-6-5-7-11-22)42-34(47)30(39-21(2)43)17-24-19-36-20-38-24/h5-12,14,18-20,27-30,37H,3-4,13,15-17H2,1-2H3,(H2,35,44)(H,36,38)(H,39,43)(H,40,46)(H,41,45)(H,42,47)/t27-,28-,29+,30-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50468279
PNG
(CHEMBL4288909)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41BrN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50468283
PNG
(CHEMBL4278563)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H42N8O5/c1-3-4-13-27(32(45)41-28(31(35)44)16-23-18-37-26-14-9-8-12-25(23)26)40-33(46)29(15-22-10-6-5-7-11-22)42-34(47)30(39-21(2)43)17-24-19-36-20-38-24/h5-12,14,18-20,27-30,37H,3-4,13,15-17H2,1-2H3,(H2,35,44)(H,36,38)(H,39,43)(H,40,46)(H,41,45)(H,42,47)/t27-,28-,29+,30-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50468281
PNG
(CHEMBL4294862)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C33H41BrN6O5/c1-3-4-9-26(31(43)38-27(30(35)42)18-22-19-36-25-10-6-5-8-24(22)25)37-32(44)28(17-21-12-14-23(34)15-13-21)39-33(45)29-11-7-16-40(29)20(2)41/h5-6,8,10,12-15,19,26-29,36H,3-4,7,9,11,16-18H2,1-2H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27-,28+,29-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468286
PNG
(CHEMBL4285535)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C35H41F3N8O5/c1-3-4-8-27(32(49)45-28(31(39)48)15-22-17-41-26-9-6-5-7-25(22)26)44-33(50)29(14-21-10-12-23(13-11-21)35(36,37)38)46-34(51)30(43-20(2)47)16-24-18-40-19-42-24/h5-7,9-13,17-19,27-30,41H,3-4,8,14-16H2,1-2H3,(H2,39,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)/t27-,28-,29+,30-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
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n/an/a 109n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50468284
PNG
(CHEMBL4293365)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41ClN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/a 122n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50468279
PNG
(CHEMBL4288909)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41BrN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/a 154n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468279
PNG
(CHEMBL4288909)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41BrN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/a 224n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50468280
PNG
(CHEMBL4289983)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41FN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/a 243n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50468286
PNG
(CHEMBL4285535)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C35H41F3N8O5/c1-3-4-8-27(32(49)45-28(31(39)48)15-22-17-41-26-9-6-5-7-25(22)26)44-33(50)29(14-21-10-12-23(13-11-21)35(36,37)38)46-34(51)30(43-20(2)47)16-24-18-40-19-42-24/h5-7,9-13,17-19,27-30,41H,3-4,8,14-16H2,1-2H3,(H2,39,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)/t27-,28-,29+,30-/m0/s1
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n/an/a 339n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
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n/an/a 359n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50468286
PNG
(CHEMBL4285535)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C35H41F3N8O5/c1-3-4-8-27(32(49)45-28(31(39)48)15-22-17-41-26-9-6-5-7-25(22)26)44-33(50)29(14-21-10-12-23(13-11-21)35(36,37)38)46-34(51)30(43-20(2)47)16-24-18-40-19-42-24/h5-7,9-13,17-19,27-30,41H,3-4,8,14-16H2,1-2H3,(H2,39,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)/t27-,28-,29+,30-/m0/s1
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n/an/a 835n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468281
PNG
(CHEMBL4294862)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C33H41BrN6O5/c1-3-4-9-26(31(43)38-27(30(35)42)18-22-19-36-25-10-6-5-8-24(22)25)37-32(44)28(17-21-12-14-23(34)15-13-21)39-33(45)29-11-7-16-40(29)20(2)41/h5-6,8,10,12-15,19,26-29,36H,3-4,7,9,11,16-18H2,1-2H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27-,28+,29-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468282
PNG
(CHEMBL4278224)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C33H42N6O5/c1-3-4-14-26(31(42)37-27(30(34)41)19-23-20-35-25-15-9-8-13-24(23)25)36-32(43)28(18-22-11-6-5-7-12-22)38-33(44)29-16-10-17-39(29)21(2)40/h5-9,11-13,15,20,26-29,35H,3-4,10,14,16-19H2,1-2H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28+,29-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468283
PNG
(CHEMBL4278563)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H42N8O5/c1-3-4-13-27(32(45)41-28(31(35)44)16-23-18-37-26-14-9-8-12-25(23)26)40-33(46)29(15-22-10-6-5-7-11-22)42-34(47)30(39-21(2)43)17-24-19-36-20-38-24/h5-12,14,18-20,27-30,37H,3-4,13,15-17H2,1-2H3,(H2,35,44)(H,36,38)(H,39,43)(H,40,46)(H,41,45)(H,42,47)/t27-,28-,29+,30-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468288
PNG
(CHEMBL4286957)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C33H41ClN6O5/c1-3-4-9-26(31(43)38-27(30(35)42)18-22-19-36-25-10-6-5-8-24(22)25)37-32(44)28(17-21-12-14-23(34)15-13-21)39-33(45)29-11-7-16-40(29)20(2)41/h5-6,8,10,12-15,19,26-29,36H,3-4,7,9,11,16-18H2,1-2H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27-,28+,29-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468289
PNG
(CHEMBL4281687)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41F3N6O5/c1-3-4-9-26(31(46)41-27(30(38)45)18-22-19-39-25-10-6-5-8-24(22)25)40-32(47)28(17-21-12-14-23(15-13-21)34(35,36)37)42-33(48)29-11-7-16-43(29)20(2)44/h5-6,8,10,12-15,19,26-29,39H,3-4,7,9,11,16-18H2,1-2H3,(H2,38,45)(H,40,47)(H,41,46)(H,42,48)/t26-,27-,28+,29-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468284
PNG
(CHEMBL4293365)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41ClN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468285
PNG
(CHEMBL4282109)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C38H44N8O5/c1-3-4-12-31(36(49)45-32(35(39)48)18-27-20-41-30-13-8-7-11-29(27)30)44-37(50)33(17-24-14-15-25-9-5-6-10-26(25)16-24)46-38(51)34(43-23(2)47)19-28-21-40-22-42-28/h5-11,13-16,20-22,31-34,41H,3-4,12,17-19H2,1-2H3,(H2,39,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)/t31-,32-,33+,34-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50468285
PNG
(CHEMBL4282109)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C38H44N8O5/c1-3-4-12-31(36(49)45-32(35(39)48)18-27-20-41-30-13-8-7-11-29(27)30)44-37(50)33(17-24-14-15-25-9-5-6-10-26(25)16-24)46-38(51)34(43-23(2)47)19-28-21-40-22-42-28/h5-11,13-16,20-22,31-34,41H,3-4,12,17-19H2,1-2H3,(H2,39,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)/t31-,32-,33+,34-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50468284
PNG
(CHEMBL4293365)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41ClN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50468280
PNG
(CHEMBL4289983)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41FN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50468285
PNG
(CHEMBL4282109)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C38H44N8O5/c1-3-4-12-31(36(49)45-32(35(39)48)18-27-20-41-30-13-8-7-11-29(27)30)44-37(50)33(17-24-14-15-25-9-5-6-10-26(25)16-24)46-38(51)34(43-23(2)47)19-28-21-40-22-42-28/h5-11,13-16,20-22,31-34,41H,3-4,12,17-19H2,1-2H3,(H2,39,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)/t31-,32-,33+,34-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468280
PNG
(CHEMBL4289983)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41FN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50468279
PNG
(CHEMBL4288909)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41BrN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/an/an/a 36n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468284
PNG
(CHEMBL4293365)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41ClN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/an/an/a 116n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
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n/an/an/an/a 7.10n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50468284
PNG
(CHEMBL4293365)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41ClN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/an/an/a 6.5n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50468280
PNG
(CHEMBL4289983)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41FN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
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n/an/an/an/a 3.90n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50468279
PNG
(CHEMBL4288909)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41BrN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50027084
PNG
(Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
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n/an/an/an/a 2n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50468283
PNG
(CHEMBL4278563)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H42N8O5/c1-3-4-13-27(32(45)41-28(31(35)44)16-23-18-37-26-14-9-8-12-25(23)26)40-33(46)29(15-22-10-6-5-7-11-22)42-34(47)30(39-21(2)43)17-24-19-36-20-38-24/h5-12,14,18-20,27-30,37H,3-4,13,15-17H2,1-2H3,(H2,35,44)(H,36,38)(H,39,43)(H,40,46)(H,41,45)(H,42,47)/t27-,28-,29+,30-/m0/s1
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n/an/an/an/a 928n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50468285
PNG
(CHEMBL4282109)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C38H44N8O5/c1-3-4-12-31(36(49)45-32(35(39)48)18-27-20-41-30-13-8-7-11-29(27)30)44-37(50)33(17-24-14-15-25-9-5-6-10-26(25)16-24)46-38(51)34(43-23(2)47)19-28-21-40-22-42-28/h5-11,13-16,20-22,31-34,41H,3-4,12,17-19H2,1-2H3,(H2,39,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)/t31-,32-,33+,34-/m0/s1
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n/an/an/an/a 133n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50468279
PNG
(CHEMBL4288909)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1S/C34H41BrN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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n/an/an/an/a 57n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
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n/an/an/an/a 4.30n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in HEK293 cells after 3 mins by cAMP assay


Eur J Med Chem 151: 815-823 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.021
BindingDB Entry DOI: 10.7270/Q20K2C9T
More data for this
Ligand-Target Pair
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