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Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'dedek' and Initial = 'mm'   
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 3 (MC3R)


(Homo sapiens (Human))
BDBM50230827
PNG
(CHEMBL253364 | MK-9)
Show SMILES N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:15.15,11.70,1.0,wD:55.59,29.31,40.42,(27.17,-1.13,;27.07,-2.65,;28.33,-3.52,;29.72,-2.86,;30.99,-3.74,;30.88,-5.27,;34.1,-3.27,;34.1,-4.94,;32.82,-5.79,;32.91,-7.32,;31.62,-8.17,;31.71,-9.71,;30.43,-10.56,;29.05,-9.87,;28.96,-8.33,;27.77,-10.72,;27.85,-12.26,;29.23,-12.95,;30.52,-12.09,;31.55,-13.24,;31.01,-14.69,;31.57,-16.11,;30.62,-17.3,;29.09,-17.08,;28.54,-15.65,;29.5,-14.45,;26.39,-10.03,;25.1,-10.87,;25.19,-12.41,;23.31,-10.55,;22.46,-11.84,;23.15,-13.22,;22.31,-14.51,;22.98,-15.89,;22.14,-17.18,;22.82,-18.57,;20.6,-17.1,;23.48,-9.02,;22.63,-7.74,;24.03,-7.12,;21.38,-6.85,;19.97,-7.47,;19.82,-9.01,;21.06,-9.91,;20.91,-11.42,;19.5,-12.06,;19.36,-13.58,;17.96,-14.22,;16.7,-13.32,;16.85,-11.79,;18.26,-11.15,;18.41,-9.62,;21.5,-5.31,;22.89,-4.64,;24.16,-5.51,;23.01,-3.11,;21.74,-2.23,;20.35,-2.9,;20.06,-4.41,;18.55,-4.61,;17.87,-3.22,;18.99,-2.17,;24.4,-2.45,;25.68,-3.32,;25.55,-4.85,;33.09,-10.4,;33.18,-11.94,;34.38,-9.55,)|
Show InChI InChI=1S/C47H60N14O7/c48-33-16-17-40(62)53-18-6-5-12-35(41(49)63)57-45(67)38(22-30-24-55-34-11-4-3-10-32(30)34)61-43(65)36(13-7-19-54-47(50)51)58-44(66)37(21-27-14-15-28-8-1-2-9-29(28)20-27)60-46(68)39(59-42(33)64)23-31-25-52-26-56-31/h1-4,8-11,14-15,20,24-26,33,35-39,55H,5-7,12-13,16-19,21-23,48H2,(H2,49,63)(H,52,56)(H,53,62)(H,57,67)(H,58,66)(H,59,64)(H,60,68)(H,61,65)(H4,50,51,54)/t33-,35-,36-,37-,38+,39-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | 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|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/a 0.200n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC1 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | 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|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/a 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | 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|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/a 1.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121268
PNG
(21-(2-Acetylamino-hexanoylamino)-7-[3-(diaminometh...)
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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41-,42+,43-,44-,45+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)|
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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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]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting


Bioorg Med Chem Lett 21: 3099-102 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)|
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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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]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting


Bioorg Med Chem Lett 21: 3099-102 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50121268
PNG
(21-(2-Acetylamino-hexanoylamino)-7-[3-(diaminometh...)
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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41-,42+,43-,44-,45+/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)|
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting


Bioorg Med Chem Lett 21: 3099-102 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | 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|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/a 7.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC5 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)|
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting


Bioorg Med Chem Lett 21: 3099-102 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50230824
PNG
(CHEMBL398665 | c[CO-(CH2)3-CO-Pro-D-Nal(2)-Arg-Trp...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C52H63N11O7/c53-46(65)40-18-7-8-24-56-25-10-21-45(64)37-15-3-4-16-38(37)51(70)63-27-11-20-44(63)50(69)62-42(29-32-22-23-33-12-1-2-13-34(33)28-32)48(67)60-41(19-9-26-57-52(54)55)47(66)61-43(49(68)59-40)30-35-31-58-39-17-6-5-14-36(35)39/h1-6,12-17,22-23,28,31,40-44,56,58H,7-11,18-21,24-27,29-30H2,(H2,53,65)(H,59,68)(H,60,67)(H,61,66)(H,62,69)(H4,54,55,57)/t40-,41-,42+,43-,44-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50230816
PNG
(CHEMBL267265 | c[CO-(CH2)2-CO-Nle-D-Nal(2)-Arg-Trp...)
Show SMILES N[C@H]1CCCCC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O |wU:17.65,35.37,21.21,wD:1.0,46.48,(-9.09,-7.87,;-7.76,-7.1,;-6.44,-7.87,;-6.44,-9.41,;-7.76,-10.17,;-7.76,-11.71,;-6.44,-12.48,;-5.11,-11.71,;-6.44,-14.01,;-5.11,-14.78,;-3.77,-14.01,;-3.77,-12.48,;.25,-14.81,;1.58,-14.04,;1.58,-12.5,;.25,-11.73,;.25,-10.19,;-1.08,-9.43,;-1.08,-7.89,;.26,-7.11,;1.6,-7.89,;.26,-5.56,;1.6,-4.79,;2.93,-5.56,;3.11,-7.09,;4.62,-7.41,;5.38,-6.08,;6.89,-5.76,;7.37,-4.3,;6.34,-3.16,;4.84,-3.48,;4.35,-4.93,;-1.08,-4.79,;-1.08,-3.25,;.26,-2.47,;-2.41,-2.47,;-2.41,-.93,;-1.08,-.16,;-1.08,1.39,;.26,2.17,;.26,3.71,;1.6,4.47,;-1.08,4.47,;-3.75,-3.25,;-5.1,-2.47,;-5.1,-.93,;-6.44,-3.25,;-7.76,-2.47,;-7.76,-.93,;-6.43,-.16,;-6.43,1.38,;-7.75,2.16,;-7.77,3.72,;-9.14,4.48,;-10.49,3.68,;-10.47,2.12,;-9.1,1.35,;-9.1,-.17,;-6.44,-4.79,;-7.76,-5.56,;-9.09,-4.79,;-2.4,-10.19,;-2.4,-11.73,;-3.74,-9.43,)|
Show InChI InChI=1S/C46H61N11O7/c47-34-14-5-3-12-32(58)20-21-40(59)51-22-8-7-16-36(41(48)60)54-45(64)39(26-31-27-53-35-15-6-4-13-33(31)35)57-43(62)37(17-9-23-52-46(49)50)55-44(63)38(56-42(34)61)25-28-18-19-29-10-1-2-11-30(29)24-28/h1-2,4,6,10-11,13,15,18-19,24,27,34,36-39,53H,3,5,7-9,12,14,16-17,20-23,25-26,47H2,(H2,48,60)(H,51,59)(H,54,64)(H,55,63)(H,56,61)(H,57,62)(H4,49,50,52)/t34-,36-,37-,38+,39-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50230816
PNG
(CHEMBL267265 | c[CO-(CH2)2-CO-Nle-D-Nal(2)-Arg-Trp...)
Show SMILES N[C@H]1CCCCC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O |wU:17.65,35.37,21.21,wD:1.0,46.48,(-9.09,-7.87,;-7.76,-7.1,;-6.44,-7.87,;-6.44,-9.41,;-7.76,-10.17,;-7.76,-11.71,;-6.44,-12.48,;-5.11,-11.71,;-6.44,-14.01,;-5.11,-14.78,;-3.77,-14.01,;-3.77,-12.48,;.25,-14.81,;1.58,-14.04,;1.58,-12.5,;.25,-11.73,;.25,-10.19,;-1.08,-9.43,;-1.08,-7.89,;.26,-7.11,;1.6,-7.89,;.26,-5.56,;1.6,-4.79,;2.93,-5.56,;3.11,-7.09,;4.62,-7.41,;5.38,-6.08,;6.89,-5.76,;7.37,-4.3,;6.34,-3.16,;4.84,-3.48,;4.35,-4.93,;-1.08,-4.79,;-1.08,-3.25,;.26,-2.47,;-2.41,-2.47,;-2.41,-.93,;-1.08,-.16,;-1.08,1.39,;.26,2.17,;.26,3.71,;1.6,4.47,;-1.08,4.47,;-3.75,-3.25,;-5.1,-2.47,;-5.1,-.93,;-6.44,-3.25,;-7.76,-2.47,;-7.76,-.93,;-6.43,-.16,;-6.43,1.38,;-7.75,2.16,;-7.77,3.72,;-9.14,4.48,;-10.49,3.68,;-10.47,2.12,;-9.1,1.35,;-9.1,-.17,;-6.44,-4.79,;-7.76,-5.56,;-9.09,-4.79,;-2.4,-10.19,;-2.4,-11.73,;-3.74,-9.43,)|
Show InChI InChI=1S/C46H61N11O7/c47-34-14-5-3-12-32(58)20-21-40(59)51-22-8-7-16-36(41(48)60)54-45(64)39(26-31-27-53-35-15-6-4-13-33(31)35)57-43(62)37(17-9-23-52-46(49)50)55-44(63)38(56-42(34)61)25-28-18-19-29-10-1-2-11-30(29)24-28/h1-2,4,6,10-11,13,15,18-19,24,27,34,36-39,53H,3,5,7-9,12,14,16-17,20-23,25-26,47H2,(H2,48,60)(H,51,59)(H,54,64)(H,55,63)(H,56,61)(H,57,62)(H4,49,50,52)/t34-,36-,37-,38+,39-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50230813
PNG
((3R,6S,9S,12S,25aS)-6-(3-carbamimidamidopropyl)-9-...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)C=CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |w:33.35|
Show InChI InChI=1S/C45H55N11O7/c46-40(59)33-13-5-6-20-49-38(57)18-19-39(58)56-22-8-15-37(56)44(63)55-35(24-27-16-17-28-9-1-2-10-29(28)23-27)42(61)53-34(14-7-21-50-45(47)48)41(60)54-36(43(62)52-33)25-30-26-51-32-12-4-3-11-31(30)32/h1-4,9-12,16-19,23,26,33-37,51H,5-8,13-15,20-22,24-25H2,(H2,46,59)(H,49,57)(H,52,62)(H,53,61)(H,54,60)(H,55,63)(H4,47,48,50)/t33-,34-,35+,36-,37-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50230820
PNG
(CHEMBL253789 | c[CO-2,3-pyrazine-CO-D-Nal(2)-Arg-T...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2nccnc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:43.46,7.6,wD:11.11,39.62,(1.05,-35.53,;-.28,-36.3,;-1.62,-35.53,;-.28,-37.84,;-1.62,-38.61,;-1.62,-40.15,;-2.95,-40.92,;-2.95,-42.46,;-4.29,-43.23,;-5.62,-42.46,;-5.62,-40.92,;-6.96,-43.23,;-8.29,-42.46,;-8.29,-40.92,;-6.95,-40.16,;-6.95,-38.62,;-8.28,-37.85,;-8.29,-36.3,;-9.65,-35.53,;-10.99,-36.33,;-10.97,-37.88,;-9.62,-38.64,;-9.62,-40.16,;-6.96,-44.78,;-8.29,-45.54,;-9.62,-44.78,;-8.29,-47.08,;-9.63,-47.85,;-9.63,-49.39,;-8.29,-50.16,;-6.96,-49.38,;-6.97,-47.85,;-5.64,-47.08,;-5.64,-45.55,;-4.31,-47.84,;-4.31,-49.38,;-5.64,-50.14,;-2.95,-51.69,;-2.98,-50.14,;-1.62,-49.4,;-1.62,-47.86,;-.28,-47.08,;1.05,-47.86,;-.28,-45.54,;1.05,-44.78,;2.38,-45.54,;2.55,-47.07,;4.06,-47.39,;4.82,-46.06,;6.32,-45.74,;6.8,-44.28,;5.77,-43.14,;4.27,-43.46,;3.79,-44.91,;-1.62,-44.78,;-1.62,-43.23,;-.28,-42.46,;-.29,-50.16,;1.03,-49.4,;-.29,-51.69,)|
Show InChI InChI=1S/C42H48N12O6/c43-36(55)30-12-5-6-16-48-40(59)34-35(47-19-18-46-34)41(60)54-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(57)52-31(13-7-17-49-42(44)45)37(56)53-33(39(58)51-30)22-27-23-50-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,18-20,23,30-33,50H,5-7,12-13,16-17,21-22H2,(H2,43,55)(H,48,59)(H,51,58)(H,52,57)(H,53,56)(H,54,60)(H4,44,45,49)/t30-,31-,32+,33-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50230824
PNG
(CHEMBL398665 | c[CO-(CH2)3-CO-Pro-D-Nal(2)-Arg-Trp...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C52H63N11O7/c53-46(65)40-18-7-8-24-56-25-10-21-45(64)37-15-3-4-16-38(37)51(70)63-27-11-20-44(63)50(69)62-42(29-32-22-23-33-12-1-2-13-34(33)28-32)48(67)60-41(19-9-26-57-52(54)55)47(66)61-43(49(68)59-40)30-35-31-58-39-17-6-5-14-36(35)39/h1-6,12-17,22-23,28,31,40-44,56,58H,7-11,18-21,24-27,29-30H2,(H2,53,65)(H,59,68)(H,60,67)(H,61,66)(H,62,69)(H4,54,55,57)/t40-,41-,42+,43-,44-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC5 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50230814
PNG
(CHEMBL253788 | c[CO-o-C6H4-CO-Pro-D-Nal(2)-Arg-Trp...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:26.32,50.54,wD:7.6,11.11,46.70,(7.14,-23.43,;5.81,-22.67,;4.47,-23.45,;5.8,-21.13,;4.46,-20.37,;4.46,-18.83,;3.12,-18.06,;3.11,-16.52,;1.78,-15.76,;.44,-16.53,;.45,-18.07,;-.89,-15.77,;-.9,-14.23,;-2.24,-13.46,;-2.24,-11.91,;-3.58,-11.15,;-4.91,-11.93,;-6.25,-11.16,;-7.57,-11.93,;-7.58,-13.48,;-6.25,-14.25,;-4.91,-13.47,;-3.57,-14.24,;-2.22,-16.55,;-2.24,-18.07,;-.9,-18.86,;-3.57,-18.84,;-4.98,-18.22,;-6.01,-19.36,;-5.24,-20.7,;-3.73,-20.38,;-2.59,-21.41,;-1.13,-20.94,;-2.91,-22.92,;-4.38,-23.39,;-4.7,-24.89,;-3.55,-25.93,;-2.08,-25.44,;-1.77,-23.94,;-.3,-23.46,;.01,-21.95,;.84,-24.49,;13,-24.43,;11.14,-22.65,;11.13,-21.11,;9.8,-20.34,;9.79,-18.8,;8.45,-18.04,;8.45,-16.5,;9.78,-15.72,;7.11,-15.73,;7.1,-14.19,;8.43,-13.42,;9.84,-14.03,;10.86,-12.88,;10.08,-11.56,;10.55,-10.11,;9.53,-8.97,;8.02,-9.3,;7.56,-10.75,;8.58,-11.88,;5.78,-16.51,;4.44,-15.75,;4.44,-14.21,;11.12,-18.03,;11.11,-16.49,;12.46,-18.79,)|
Show InChI InChI=1S/C49H57N11O7/c50-42(61)37-17-7-8-22-53-43(62)34-14-3-4-15-35(34)48(67)60-24-10-19-41(60)47(66)59-39(26-29-20-21-30-11-1-2-12-31(30)25-29)45(64)57-38(18-9-23-54-49(51)52)44(63)58-40(46(65)56-37)27-32-28-55-36-16-6-5-13-33(32)36/h1-6,11-16,20-21,25,28,37-41,55H,7-10,17-19,22-24,26-27H2,(H2,50,61)(H,53,62)(H,56,65)(H,57,64)(H,58,63)(H,59,66)(H4,51,52,54)/t37-,38-,39+,40-,41-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50230823
PNG
(CHEMBL411391 | c[CO-(CH2)2-CO-Nle-D-Phe-Arg-Trp-Ly...)
Show SMILES N[C@H]1CCCCC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O |wU:21.21,17.60,35.37,wD:46.48,1.0,(12.38,-45.7,;13.72,-44.93,;15.05,-45.7,;15.05,-47.24,;13.72,-48.01,;13.72,-49.55,;15.05,-50.32,;16.38,-49.55,;15.05,-51.85,;16.38,-52.62,;17.71,-51.85,;17.71,-50.32,;21.74,-52.65,;23.07,-51.88,;23.07,-50.34,;21.74,-49.57,;21.74,-48.03,;20.41,-47.27,;20.41,-45.72,;21.75,-44.94,;23.09,-45.72,;21.75,-43.39,;23.09,-42.63,;24.42,-43.39,;24.6,-44.93,;26.11,-45.25,;26.87,-43.92,;28.38,-43.6,;28.86,-42.13,;27.83,-40.99,;26.33,-41.31,;25.84,-42.76,;20.41,-42.63,;20.41,-41.08,;21.75,-40.3,;19.07,-40.3,;19.07,-38.76,;20.41,-37.99,;20.41,-36.44,;21.75,-35.66,;21.75,-34.12,;23.09,-33.35,;20.41,-33.35,;17.73,-41.08,;16.39,-40.3,;16.39,-38.76,;15.05,-41.08,;13.72,-40.3,;13.72,-38.76,;15.05,-37.99,;15.05,-36.45,;13.72,-35.67,;12.38,-36.46,;12.38,-38,;15.05,-42.63,;13.72,-43.39,;12.38,-42.63,;19.08,-48.03,;19.08,-49.57,;17.75,-47.27,)|
Show InChI InChI=1S/C42H59N11O7/c43-30-15-6-4-13-28(54)19-20-36(55)47-21-9-8-17-32(37(44)56)50-41(60)35(24-27-25-49-31-16-7-5-14-29(27)31)53-39(58)33(18-10-22-48-42(45)46)51-40(59)34(52-38(30)57)23-26-11-2-1-3-12-26/h1-3,5,7,11-12,14,16,25,30,32-35,49H,4,6,8-10,13,15,17-24,43H2,(H2,44,56)(H,47,55)(H,50,60)(H,51,59)(H,52,57)(H,53,58)(H4,45,46,48)/t30-,32-,33-,34+,35-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50230813
PNG
((3R,6S,9S,12S,25aS)-6-(3-carbamimidamidopropyl)-9-...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)C=CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |w:33.35|
Show InChI InChI=1S/C45H55N11O7/c46-40(59)33-13-5-6-20-49-38(57)18-19-39(58)56-22-8-15-37(56)44(63)55-35(24-27-16-17-28-9-1-2-10-29(28)23-27)42(61)53-34(14-7-21-50-45(47)48)41(60)54-36(43(62)52-33)25-30-26-51-32-12-4-3-11-31(30)32/h1-4,9-12,16-19,23,26,33-37,51H,5-8,13-15,20-22,24-25H2,(H2,46,59)(H,49,57)(H,52,62)(H,53,61)(H,54,60)(H,55,63)(H4,47,48,50)/t33-,34-,35+,36-,37-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50230822
PNG
((3R,6S,9S,12S,25aS)-3-benzyl-6-(3-carbamimidamidop...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)C=CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |w:29.30,wU:22.27,42.44,7.6,11.11,wD:38.60,(29.44,-37.07,;28.12,-37.86,;26.79,-37.09,;28.13,-39.4,;26.79,-40.17,;26.8,-41.72,;25.46,-42.49,;25.47,-44.03,;24.14,-44.81,;22.8,-44.04,;22.79,-42.49,;21.46,-44.81,;21.47,-46.36,;22.81,-47.12,;22.76,-48.48,;24.14,-49.43,;25.55,-48.86,;25.47,-47.1,;24.15,-46.35,;20.13,-44.06,;19,-45.1,;19.34,-46.59,;17.53,-44.65,;17.02,-43.18,;15.48,-43.21,;15.02,-44.69,;16.3,-45.57,;16.3,-47.34,;17.83,-48.21,;14.77,-48.22,;14.77,-49.99,;16.31,-50.86,;16.31,-52.63,;22.72,-51.69,;24.12,-50.9,;25.44,-51.69,;26.78,-50.93,;26.8,-49.39,;28.12,-48.65,;28.14,-47.1,;29.47,-46.33,;30.81,-47.09,;29.46,-44.78,;30.8,-44.01,;32.14,-44.79,;32.32,-46.31,;33.82,-46.62,;34.58,-45.29,;36.07,-44.96,;36.56,-43.5,;35.51,-42.37,;34.02,-42.69,;33.55,-44.15,;28.13,-44.03,;26.81,-44.79,;26.82,-46.35,;29.44,-49.42,;30.78,-48.68,;29.43,-50.97,)|
Show InChI InChI=1S/C41H53N11O7/c42-36(55)29-14-6-7-19-45-34(53)17-18-35(54)52-21-9-16-33(52)40(59)51-31(22-25-10-2-1-3-11-25)38(57)49-30(15-8-20-46-41(43)44)37(56)50-32(39(58)48-29)23-26-24-47-28-13-5-4-12-27(26)28/h1-5,10-13,17-18,24,29-33,47H,6-9,14-16,19-23H2,(H2,42,55)(H,45,53)(H,48,58)(H,49,57)(H,50,56)(H,51,59)(H4,43,44,46)/t29-,30-,31+,32-,33-/m0/s1
KEGG

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n/an/a 160n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50230814
PNG
(CHEMBL253788 | c[CO-o-C6H4-CO-Pro-D-Nal(2)-Arg-Trp...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:26.32,50.54,wD:7.6,11.11,46.70,(7.14,-23.43,;5.81,-22.67,;4.47,-23.45,;5.8,-21.13,;4.46,-20.37,;4.46,-18.83,;3.12,-18.06,;3.11,-16.52,;1.78,-15.76,;.44,-16.53,;.45,-18.07,;-.89,-15.77,;-.9,-14.23,;-2.24,-13.46,;-2.24,-11.91,;-3.58,-11.15,;-4.91,-11.93,;-6.25,-11.16,;-7.57,-11.93,;-7.58,-13.48,;-6.25,-14.25,;-4.91,-13.47,;-3.57,-14.24,;-2.22,-16.55,;-2.24,-18.07,;-.9,-18.86,;-3.57,-18.84,;-4.98,-18.22,;-6.01,-19.36,;-5.24,-20.7,;-3.73,-20.38,;-2.59,-21.41,;-1.13,-20.94,;-2.91,-22.92,;-4.38,-23.39,;-4.7,-24.89,;-3.55,-25.93,;-2.08,-25.44,;-1.77,-23.94,;-.3,-23.46,;.01,-21.95,;.84,-24.49,;13,-24.43,;11.14,-22.65,;11.13,-21.11,;9.8,-20.34,;9.79,-18.8,;8.45,-18.04,;8.45,-16.5,;9.78,-15.72,;7.11,-15.73,;7.1,-14.19,;8.43,-13.42,;9.84,-14.03,;10.86,-12.88,;10.08,-11.56,;10.55,-10.11,;9.53,-8.97,;8.02,-9.3,;7.56,-10.75,;8.58,-11.88,;5.78,-16.51,;4.44,-15.75,;4.44,-14.21,;11.12,-18.03,;11.11,-16.49,;12.46,-18.79,)|
Show InChI InChI=1S/C49H57N11O7/c50-42(61)37-17-7-8-22-53-43(62)34-14-3-4-15-35(34)48(67)60-24-10-19-41(60)47(66)59-39(26-29-20-21-30-11-1-2-12-31(30)25-29)45(64)57-38(18-9-23-54-49(51)52)44(63)58-40(46(65)56-37)27-32-28-55-36-16-6-5-13-33(32)36/h1-6,11-16,20-21,25,28,37-41,55H,7-10,17-19,22-24,26-27H2,(H2,50,61)(H,53,62)(H,56,65)(H,57,64)(H,58,63)(H,59,66)(H4,51,52,54)/t37-,38-,39+,40-,41-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50230820
PNG
(CHEMBL253789 | c[CO-2,3-pyrazine-CO-D-Nal(2)-Arg-T...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2nccnc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:43.46,7.6,wD:11.11,39.62,(1.05,-35.53,;-.28,-36.3,;-1.62,-35.53,;-.28,-37.84,;-1.62,-38.61,;-1.62,-40.15,;-2.95,-40.92,;-2.95,-42.46,;-4.29,-43.23,;-5.62,-42.46,;-5.62,-40.92,;-6.96,-43.23,;-8.29,-42.46,;-8.29,-40.92,;-6.95,-40.16,;-6.95,-38.62,;-8.28,-37.85,;-8.29,-36.3,;-9.65,-35.53,;-10.99,-36.33,;-10.97,-37.88,;-9.62,-38.64,;-9.62,-40.16,;-6.96,-44.78,;-8.29,-45.54,;-9.62,-44.78,;-8.29,-47.08,;-9.63,-47.85,;-9.63,-49.39,;-8.29,-50.16,;-6.96,-49.38,;-6.97,-47.85,;-5.64,-47.08,;-5.64,-45.55,;-4.31,-47.84,;-4.31,-49.38,;-5.64,-50.14,;-2.95,-51.69,;-2.98,-50.14,;-1.62,-49.4,;-1.62,-47.86,;-.28,-47.08,;1.05,-47.86,;-.28,-45.54,;1.05,-44.78,;2.38,-45.54,;2.55,-47.07,;4.06,-47.39,;4.82,-46.06,;6.32,-45.74,;6.8,-44.28,;5.77,-43.14,;4.27,-43.46,;3.79,-44.91,;-1.62,-44.78,;-1.62,-43.23,;-.28,-42.46,;-.29,-50.16,;1.03,-49.4,;-.29,-51.69,)|
Show InChI InChI=1S/C42H48N12O6/c43-36(55)30-12-5-6-16-48-40(59)34-35(47-19-18-46-34)41(60)54-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(57)52-31(13-7-17-49-42(44)45)37(56)53-33(39(58)51-30)22-27-23-50-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,18-20,23,30-33,50H,5-7,12-13,16-17,21-22H2,(H2,43,55)(H,48,59)(H,51,58)(H,52,57)(H,53,56)(H,54,60)(H4,44,45,49)/t30-,31-,32+,33-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50343650
PNG
((2S,5S,8R,11S,14S,17S,20S)-5-((1H-indol-3-yl)methy...)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.0,54.73,16.16,wD:27.28,5.5,58.61,41.44,(36.67,-5.33,;36.67,-6.88,;35.34,-7.64,;34,-6.88,;34,-5.33,;32.67,-7.64,;32.67,-9.18,;34,-9.96,;34,-11.5,;35.33,-12.27,;35.33,-13.82,;36.66,-14.59,;33.99,-14.59,;31.33,-6.88,;29.99,-7.64,;29.99,-9.18,;28.66,-6.88,;27.33,-7.66,;27.34,-9.2,;28.68,-9.95,;28.69,-11.49,;27.36,-12.28,;26.03,-11.52,;26.01,-9.97,;28.64,-5.33,;29.96,-4.55,;31.31,-5.31,;29.95,-3.01,;28.6,-2.25,;27.24,-2.97,;27.01,-4.49,;25.5,-4.75,;24.77,-3.39,;23.29,-3,;22.87,-1.52,;23.95,-.42,;25.44,-.8,;25.86,-2.28,;31.27,-2.23,;32.61,-2.98,;32.64,-4.52,;33.94,-2.2,;33.92,-.65,;35.25,.13,;35.23,1.67,;36.56,2.46,;36.55,4,;37.88,4.78,;35.2,4.75,;35.29,-2.96,;43.31,-2.98,;44.64,-2.2,;43.33,-4.53,;44.66,-5.29,;44.68,-6.82,;43.35,-7.61,;42.01,-6.85,;42,-5.31,;40.68,-7.63,;40.69,-9.17,;42.04,-9.93,;43.37,-9.15,;44.71,-9.91,;44.72,-11.45,;43.4,-12.23,;42.05,-11.48,;39.34,-6.88,;38.01,-7.64,;38.01,-9.18,;46.02,-7.58,;47.35,-6.81,;46.03,-9.12,)|
Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36-,37-,38+,39-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 21: 3099-102 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50230816
PNG
(CHEMBL267265 | c[CO-(CH2)2-CO-Nle-D-Nal(2)-Arg-Trp...)
Show SMILES N[C@H]1CCCCC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O |wU:17.65,35.37,21.21,wD:1.0,46.48,(-9.09,-7.87,;-7.76,-7.1,;-6.44,-7.87,;-6.44,-9.41,;-7.76,-10.17,;-7.76,-11.71,;-6.44,-12.48,;-5.11,-11.71,;-6.44,-14.01,;-5.11,-14.78,;-3.77,-14.01,;-3.77,-12.48,;.25,-14.81,;1.58,-14.04,;1.58,-12.5,;.25,-11.73,;.25,-10.19,;-1.08,-9.43,;-1.08,-7.89,;.26,-7.11,;1.6,-7.89,;.26,-5.56,;1.6,-4.79,;2.93,-5.56,;3.11,-7.09,;4.62,-7.41,;5.38,-6.08,;6.89,-5.76,;7.37,-4.3,;6.34,-3.16,;4.84,-3.48,;4.35,-4.93,;-1.08,-4.79,;-1.08,-3.25,;.26,-2.47,;-2.41,-2.47,;-2.41,-.93,;-1.08,-.16,;-1.08,1.39,;.26,2.17,;.26,3.71,;1.6,4.47,;-1.08,4.47,;-3.75,-3.25,;-5.1,-2.47,;-5.1,-.93,;-6.44,-3.25,;-7.76,-2.47,;-7.76,-.93,;-6.43,-.16,;-6.43,1.38,;-7.75,2.16,;-7.77,3.72,;-9.14,4.48,;-10.49,3.68,;-10.47,2.12,;-9.1,1.35,;-9.1,-.17,;-6.44,-4.79,;-7.76,-5.56,;-9.09,-4.79,;-2.4,-10.19,;-2.4,-11.73,;-3.74,-9.43,)|
Show InChI InChI=1S/C46H61N11O7/c47-34-14-5-3-12-32(58)20-21-40(59)51-22-8-7-16-36(41(48)60)54-45(64)39(26-31-27-53-35-15-6-4-13-33(31)35)57-43(62)37(17-9-23-52-46(49)50)55-44(63)38(56-42(34)61)25-28-18-19-29-10-1-2-11-30(29)24-28/h1-2,4,6,10-11,13,15,18-19,24,27,34,36-39,53H,3,5,7-9,12,14,16-17,20-23,25-26,47H2,(H2,48,60)(H,51,59)(H,54,64)(H,55,63)(H,56,61)(H,57,62)(H4,49,50,52)/t34-,36-,37-,38+,39-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50230824
PNG
(CHEMBL398665 | c[CO-(CH2)3-CO-Pro-D-Nal(2)-Arg-Trp...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C52H63N11O7/c53-46(65)40-18-7-8-24-56-25-10-21-45(64)37-15-3-4-16-38(37)51(70)63-27-11-20-44(63)50(69)62-42(29-32-22-23-33-12-1-2-13-34(33)28-32)48(67)60-41(19-9-26-57-52(54)55)47(66)61-43(49(68)59-40)30-35-31-58-39-17-6-5-14-36(35)39/h1-6,12-17,22-23,28,31,40-44,56,58H,7-11,18-21,24-27,29-30H2,(H2,53,65)(H,59,68)(H,60,67)(H,61,66)(H,62,69)(H4,54,55,57)/t40-,41-,42+,43-,44-/m0/s1
KEGG

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n/an/a 330n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50230819
PNG
(CHEMBL398664 | c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:22.27,41.43,7.6,11.11,wD:37.59,(33.9,-17.56,;32.57,-18.34,;31.24,-17.58,;32.58,-19.89,;31.24,-20.66,;31.25,-22.2,;29.91,-22.97,;29.92,-24.51,;28.59,-25.29,;27.26,-24.52,;27.25,-22.98,;25.92,-25.29,;25.93,-26.84,;27.27,-27.59,;27.22,-28.96,;28.6,-29.9,;30.01,-29.34,;29.92,-27.58,;28.6,-26.82,;24.59,-24.53,;23.46,-25.58,;23.81,-27.07,;22,-25.12,;21.5,-23.67,;19.96,-23.7,;19.5,-25.16,;20.76,-26.05,;20.77,-27.81,;19.63,-28.94,;24.23,-27.81,;25.82,-29.74,;25.8,-31.34,;27.18,-32.16,;28.58,-31.37,;29.89,-32.16,;31.23,-31.4,;31.25,-29.87,;32.58,-29.12,;32.59,-27.58,;33.92,-26.81,;35.26,-27.57,;33.92,-25.26,;35.25,-24.49,;36.59,-25.26,;36.76,-26.78,;38.26,-27.1,;39.02,-25.76,;40.51,-25.44,;41,-23.98,;39.95,-22.85,;38.46,-23.17,;38,-24.63,;32.58,-24.51,;31.26,-25.28,;31.27,-26.82,;33.89,-29.9,;35.24,-29.14,;33.88,-31.43,)|
Show InChI InChI=1S/C41H57N11O6/c42-36(54)30-15-6-7-19-45-20-9-18-35(53)52-22-10-17-34(52)40(58)51-32(23-26-11-2-1-3-12-26)38(56)49-31(16-8-21-46-41(43)44)37(55)50-33(39(57)48-30)24-27-25-47-29-14-5-4-13-28(27)29/h1-5,11-14,25,30-34,45,47H,6-10,15-24H2,(H2,42,54)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,46)/t30-,31-,32+,33-,34-/m0/s1
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n/an/a 385n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50343650
PNG
((2S,5S,8R,11S,14S,17S,20S)-5-((1H-indol-3-yl)methy...)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.0,54.73,16.16,wD:27.28,5.5,58.61,41.44,(36.67,-5.33,;36.67,-6.88,;35.34,-7.64,;34,-6.88,;34,-5.33,;32.67,-7.64,;32.67,-9.18,;34,-9.96,;34,-11.5,;35.33,-12.27,;35.33,-13.82,;36.66,-14.59,;33.99,-14.59,;31.33,-6.88,;29.99,-7.64,;29.99,-9.18,;28.66,-6.88,;27.33,-7.66,;27.34,-9.2,;28.68,-9.95,;28.69,-11.49,;27.36,-12.28,;26.03,-11.52,;26.01,-9.97,;28.64,-5.33,;29.96,-4.55,;31.31,-5.31,;29.95,-3.01,;28.6,-2.25,;27.24,-2.97,;27.01,-4.49,;25.5,-4.75,;24.77,-3.39,;23.29,-3,;22.87,-1.52,;23.95,-.42,;25.44,-.8,;25.86,-2.28,;31.27,-2.23,;32.61,-2.98,;32.64,-4.52,;33.94,-2.2,;33.92,-.65,;35.25,.13,;35.23,1.67,;36.56,2.46,;36.55,4,;37.88,4.78,;35.2,4.75,;35.29,-2.96,;43.31,-2.98,;44.64,-2.2,;43.33,-4.53,;44.66,-5.29,;44.68,-6.82,;43.35,-7.61,;42.01,-6.85,;42,-5.31,;40.68,-7.63,;40.69,-9.17,;42.04,-9.93,;43.37,-9.15,;44.71,-9.91,;44.72,-11.45,;43.4,-12.23,;42.05,-11.48,;39.34,-6.88,;38.01,-7.64,;38.01,-9.18,;46.02,-7.58,;47.35,-6.81,;46.03,-9.12,)|
Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36-,37-,38+,39-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting


Bioorg Med Chem Lett 21: 3099-102 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50230814
PNG
(CHEMBL253788 | c[CO-o-C6H4-CO-Pro-D-Nal(2)-Arg-Trp...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:26.32,50.54,wD:7.6,11.11,46.70,(7.14,-23.43,;5.81,-22.67,;4.47,-23.45,;5.8,-21.13,;4.46,-20.37,;4.46,-18.83,;3.12,-18.06,;3.11,-16.52,;1.78,-15.76,;.44,-16.53,;.45,-18.07,;-.89,-15.77,;-.9,-14.23,;-2.24,-13.46,;-2.24,-11.91,;-3.58,-11.15,;-4.91,-11.93,;-6.25,-11.16,;-7.57,-11.93,;-7.58,-13.48,;-6.25,-14.25,;-4.91,-13.47,;-3.57,-14.24,;-2.22,-16.55,;-2.24,-18.07,;-.9,-18.86,;-3.57,-18.84,;-4.98,-18.22,;-6.01,-19.36,;-5.24,-20.7,;-3.73,-20.38,;-2.59,-21.41,;-1.13,-20.94,;-2.91,-22.92,;-4.38,-23.39,;-4.7,-24.89,;-3.55,-25.93,;-2.08,-25.44,;-1.77,-23.94,;-.3,-23.46,;.01,-21.95,;.84,-24.49,;13,-24.43,;11.14,-22.65,;11.13,-21.11,;9.8,-20.34,;9.79,-18.8,;8.45,-18.04,;8.45,-16.5,;9.78,-15.72,;7.11,-15.73,;7.1,-14.19,;8.43,-13.42,;9.84,-14.03,;10.86,-12.88,;10.08,-11.56,;10.55,-10.11,;9.53,-8.97,;8.02,-9.3,;7.56,-10.75,;8.58,-11.88,;5.78,-16.51,;4.44,-15.75,;4.44,-14.21,;11.12,-18.03,;11.11,-16.49,;12.46,-18.79,)|
Show InChI InChI=1S/C49H57N11O7/c50-42(61)37-17-7-8-22-53-43(62)34-14-3-4-15-35(34)48(67)60-24-10-19-41(60)47(66)59-39(26-29-20-21-30-11-1-2-12-31(30)25-29)45(64)57-38(18-9-23-54-49(51)52)44(63)58-40(46(65)56-37)27-32-28-55-36-16-6-5-13-33(32)36/h1-6,11-16,20-21,25,28,37-41,55H,7-10,17-19,22-24,26-27H2,(H2,50,61)(H,53,62)(H,56,65)(H,57,64)(H,58,63)(H,59,66)(H4,51,52,54)/t37-,38-,39+,40-,41-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50230821
PNG
(CHEMBL438744 | c[CO-2,3-pyrazine-CO-D-Phe-Arg-Trp-...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nccnc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:7.6,39.41,wD:11.11,35.57,(23.78,-12.89,;22.44,-13.66,;21.11,-12.89,;22.44,-15.2,;21.11,-15.97,;21.11,-17.51,;19.77,-18.28,;19.77,-19.82,;18.43,-20.6,;17.1,-19.82,;17.1,-18.28,;15.76,-20.6,;14.43,-19.82,;14.43,-18.28,;15.77,-17.52,;15.77,-15.98,;14.44,-15.21,;13.1,-15.99,;13.11,-17.52,;15.76,-22.14,;14.43,-22.9,;13.1,-22.14,;14.43,-24.44,;13.09,-25.21,;13.09,-26.75,;14.43,-27.52,;15.76,-26.75,;15.76,-25.21,;17.08,-24.44,;17.08,-22.91,;18.41,-25.21,;18.41,-26.74,;17.09,-27.51,;19.78,-29.06,;19.74,-27.5,;21.11,-26.76,;21.11,-25.22,;22.44,-24.44,;23.78,-25.22,;22.44,-22.9,;23.78,-22.14,;25.1,-22.9,;25.28,-24.43,;26.79,-24.75,;27.55,-23.43,;29.05,-23.1,;29.53,-21.64,;28.5,-20.5,;27,-20.82,;26.52,-22.28,;21.11,-22.14,;21.11,-20.6,;22.44,-19.82,;22.43,-27.53,;23.76,-26.76,;22.43,-29.06,)|
Show InChI InChI=1S/C38H46N12O6/c39-32(51)26-13-6-7-15-44-36(55)30-31(43-18-17-42-30)37(56)50-28(19-22-9-2-1-3-10-22)34(53)48-27(14-8-16-45-38(40)41)33(52)49-29(35(54)47-26)20-23-21-46-25-12-5-4-11-24(23)25/h1-5,9-12,17-18,21,26-29,46H,6-8,13-16,19-20H2,(H2,39,51)(H,44,55)(H,47,54)(H,48,53)(H,49,52)(H,50,56)(H4,40,41,45)/t26-,27-,28+,29-/m0/s1
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n/an/a 412n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC1 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50230814
PNG
(CHEMBL253788 | c[CO-o-C6H4-CO-Pro-D-Nal(2)-Arg-Trp...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:26.32,50.54,wD:7.6,11.11,46.70,(7.14,-23.43,;5.81,-22.67,;4.47,-23.45,;5.8,-21.13,;4.46,-20.37,;4.46,-18.83,;3.12,-18.06,;3.11,-16.52,;1.78,-15.76,;.44,-16.53,;.45,-18.07,;-.89,-15.77,;-.9,-14.23,;-2.24,-13.46,;-2.24,-11.91,;-3.58,-11.15,;-4.91,-11.93,;-6.25,-11.16,;-7.57,-11.93,;-7.58,-13.48,;-6.25,-14.25,;-4.91,-13.47,;-3.57,-14.24,;-2.22,-16.55,;-2.24,-18.07,;-.9,-18.86,;-3.57,-18.84,;-4.98,-18.22,;-6.01,-19.36,;-5.24,-20.7,;-3.73,-20.38,;-2.59,-21.41,;-1.13,-20.94,;-2.91,-22.92,;-4.38,-23.39,;-4.7,-24.89,;-3.55,-25.93,;-2.08,-25.44,;-1.77,-23.94,;-.3,-23.46,;.01,-21.95,;.84,-24.49,;13,-24.43,;11.14,-22.65,;11.13,-21.11,;9.8,-20.34,;9.79,-18.8,;8.45,-18.04,;8.45,-16.5,;9.78,-15.72,;7.11,-15.73,;7.1,-14.19,;8.43,-13.42,;9.84,-14.03,;10.86,-12.88,;10.08,-11.56,;10.55,-10.11,;9.53,-8.97,;8.02,-9.3,;7.56,-10.75,;8.58,-11.88,;5.78,-16.51,;4.44,-15.75,;4.44,-14.21,;11.12,-18.03,;11.11,-16.49,;12.46,-18.79,)|
Show InChI InChI=1S/C49H57N11O7/c50-42(61)37-17-7-8-22-53-43(62)34-14-3-4-15-35(34)48(67)60-24-10-19-41(60)47(66)59-39(26-29-20-21-30-11-1-2-12-31(30)25-29)45(64)57-38(18-9-23-54-49(51)52)44(63)58-40(46(65)56-37)27-32-28-55-36-16-6-5-13-33(32)36/h1-6,11-16,20-21,25,28,37-41,55H,7-10,17-19,22-24,26-27H2,(H2,50,61)(H,53,62)(H,56,65)(H,57,64)(H,58,63)(H,59,66)(H4,51,52,54)/t37-,38-,39+,40-,41-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50343649
PNG
((2S,5S,8S,11R,14S,17S,20S)-5-((1H-indol-3-yl)methy...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:5.5,1.0,54.73,wD:27.28,58.61,16.16,41.44,(34.32,-23.94,;34.32,-25.48,;32.99,-26.24,;31.66,-25.48,;31.66,-23.94,;30.33,-26.24,;30.33,-27.78,;31.66,-28.56,;31.65,-30.1,;30.32,-30.86,;30.32,-32.4,;28.98,-33.17,;31.65,-33.18,;28.99,-25.48,;27.65,-26.24,;27.65,-27.78,;26.32,-25.48,;24.99,-26.26,;25,-27.8,;26.34,-28.55,;26.35,-30.09,;25.02,-30.87,;23.69,-30.11,;23.67,-28.57,;26.3,-23.94,;27.62,-23.15,;28.97,-23.91,;27.61,-21.62,;26.27,-20.86,;24.9,-21.57,;24.68,-23.1,;23.16,-23.35,;22.44,-21.99,;20.95,-21.61,;20.54,-20.12,;21.62,-19.02,;23.11,-19.41,;23.52,-20.89,;28.93,-20.83,;30.27,-21.59,;30.29,-23.13,;31.6,-20.8,;31.58,-19.26,;32.91,-18.47,;32.89,-16.93,;34.22,-16.15,;34.2,-14.61,;35.52,-13.83,;32.85,-13.85,;32.94,-21.56,;40.96,-21.59,;42.28,-20.81,;40.97,-23.13,;42.31,-23.89,;42.33,-25.43,;41,-26.21,;39.66,-25.45,;39.65,-23.91,;38.33,-26.23,;38.34,-27.77,;39.69,-28.53,;41.02,-27.75,;42.36,-28.51,;42.37,-30.05,;41.04,-30.82,;39.7,-30.07,;36.99,-25.48,;35.66,-26.24,;35.66,-27.78,;43.67,-26.18,;44.99,-25.4,;43.68,-27.72,)|
Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36+,37-,38-,39-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting


Bioorg Med Chem Lett 21: 3099-102 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50343650
PNG
((2S,5S,8R,11S,14S,17S,20S)-5-((1H-indol-3-yl)methy...)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.0,54.73,16.16,wD:27.28,5.5,58.61,41.44,(36.67,-5.33,;36.67,-6.88,;35.34,-7.64,;34,-6.88,;34,-5.33,;32.67,-7.64,;32.67,-9.18,;34,-9.96,;34,-11.5,;35.33,-12.27,;35.33,-13.82,;36.66,-14.59,;33.99,-14.59,;31.33,-6.88,;29.99,-7.64,;29.99,-9.18,;28.66,-6.88,;27.33,-7.66,;27.34,-9.2,;28.68,-9.95,;28.69,-11.49,;27.36,-12.28,;26.03,-11.52,;26.01,-9.97,;28.64,-5.33,;29.96,-4.55,;31.31,-5.31,;29.95,-3.01,;28.6,-2.25,;27.24,-2.97,;27.01,-4.49,;25.5,-4.75,;24.77,-3.39,;23.29,-3,;22.87,-1.52,;23.95,-.42,;25.44,-.8,;25.86,-2.28,;31.27,-2.23,;32.61,-2.98,;32.64,-4.52,;33.94,-2.2,;33.92,-.65,;35.25,.13,;35.23,1.67,;36.56,2.46,;36.55,4,;37.88,4.78,;35.2,4.75,;35.29,-2.96,;43.31,-2.98,;44.64,-2.2,;43.33,-4.53,;44.66,-5.29,;44.68,-6.82,;43.35,-7.61,;42.01,-6.85,;42,-5.31,;40.68,-7.63,;40.69,-9.17,;42.04,-9.93,;43.37,-9.15,;44.71,-9.91,;44.72,-11.45,;43.4,-12.23,;42.05,-11.48,;39.34,-6.88,;38.01,-7.64,;38.01,-9.18,;46.02,-7.58,;47.35,-6.81,;46.03,-9.12,)|
Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36-,37-,38+,39-/m0/s1
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n/an/a 515n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting


Bioorg Med Chem Lett 21: 3099-102 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50230823
PNG
(CHEMBL411391 | c[CO-(CH2)2-CO-Nle-D-Phe-Arg-Trp-Ly...)
Show SMILES N[C@H]1CCCCC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O |wU:21.21,17.60,35.37,wD:46.48,1.0,(12.38,-45.7,;13.72,-44.93,;15.05,-45.7,;15.05,-47.24,;13.72,-48.01,;13.72,-49.55,;15.05,-50.32,;16.38,-49.55,;15.05,-51.85,;16.38,-52.62,;17.71,-51.85,;17.71,-50.32,;21.74,-52.65,;23.07,-51.88,;23.07,-50.34,;21.74,-49.57,;21.74,-48.03,;20.41,-47.27,;20.41,-45.72,;21.75,-44.94,;23.09,-45.72,;21.75,-43.39,;23.09,-42.63,;24.42,-43.39,;24.6,-44.93,;26.11,-45.25,;26.87,-43.92,;28.38,-43.6,;28.86,-42.13,;27.83,-40.99,;26.33,-41.31,;25.84,-42.76,;20.41,-42.63,;20.41,-41.08,;21.75,-40.3,;19.07,-40.3,;19.07,-38.76,;20.41,-37.99,;20.41,-36.44,;21.75,-35.66,;21.75,-34.12,;23.09,-33.35,;20.41,-33.35,;17.73,-41.08,;16.39,-40.3,;16.39,-38.76,;15.05,-41.08,;13.72,-40.3,;13.72,-38.76,;15.05,-37.99,;15.05,-36.45,;13.72,-35.67,;12.38,-36.46,;12.38,-38,;15.05,-42.63,;13.72,-43.39,;12.38,-42.63,;19.08,-48.03,;19.08,-49.57,;17.75,-47.27,)|
Show InChI InChI=1S/C42H59N11O7/c43-30-15-6-4-13-28(54)19-20-36(55)47-21-9-8-17-32(37(44)56)50-41(60)35(24-27-25-49-31-16-7-5-14-29(27)31)53-39(58)33(18-10-22-48-42(45)46)51-40(59)34(52-38(30)57)23-26-11-2-1-3-12-26/h1-3,5,7,11-12,14,16,25,30,32-35,49H,4,6,8-10,13,15,17-24,43H2,(H2,44,56)(H,47,55)(H,50,60)(H,51,59)(H,52,57)(H,53,58)(H4,45,46,48)/t30-,32-,33-,34+,35-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC5 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50230813
PNG
((3R,6S,9S,12S,25aS)-6-(3-carbamimidamidopropyl)-9-...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)C=CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |w:33.35|
Show InChI InChI=1S/C45H55N11O7/c46-40(59)33-13-5-6-20-49-38(57)18-19-39(58)56-22-8-15-37(56)44(63)55-35(24-27-16-17-28-9-1-2-10-29(28)23-27)42(61)53-34(14-7-21-50-45(47)48)41(60)54-36(43(62)52-33)25-30-26-51-32-12-4-3-11-31(30)32/h1-4,9-12,16-19,23,26,33-37,51H,5-8,13-15,20-22,24-25H2,(H2,46,59)(H,49,57)(H,52,62)(H,53,61)(H,54,60)(H,55,63)(H4,47,48,50)/t33-,34-,35+,36-,37-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50230820
PNG
(CHEMBL253789 | c[CO-2,3-pyrazine-CO-D-Nal(2)-Arg-T...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2nccnc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:43.46,7.6,wD:11.11,39.62,(1.05,-35.53,;-.28,-36.3,;-1.62,-35.53,;-.28,-37.84,;-1.62,-38.61,;-1.62,-40.15,;-2.95,-40.92,;-2.95,-42.46,;-4.29,-43.23,;-5.62,-42.46,;-5.62,-40.92,;-6.96,-43.23,;-8.29,-42.46,;-8.29,-40.92,;-6.95,-40.16,;-6.95,-38.62,;-8.28,-37.85,;-8.29,-36.3,;-9.65,-35.53,;-10.99,-36.33,;-10.97,-37.88,;-9.62,-38.64,;-9.62,-40.16,;-6.96,-44.78,;-8.29,-45.54,;-9.62,-44.78,;-8.29,-47.08,;-9.63,-47.85,;-9.63,-49.39,;-8.29,-50.16,;-6.96,-49.38,;-6.97,-47.85,;-5.64,-47.08,;-5.64,-45.55,;-4.31,-47.84,;-4.31,-49.38,;-5.64,-50.14,;-2.95,-51.69,;-2.98,-50.14,;-1.62,-49.4,;-1.62,-47.86,;-.28,-47.08,;1.05,-47.86,;-.28,-45.54,;1.05,-44.78,;2.38,-45.54,;2.55,-47.07,;4.06,-47.39,;4.82,-46.06,;6.32,-45.74,;6.8,-44.28,;5.77,-43.14,;4.27,-43.46,;3.79,-44.91,;-1.62,-44.78,;-1.62,-43.23,;-.28,-42.46,;-.29,-50.16,;1.03,-49.4,;-.29,-51.69,)|
Show InChI InChI=1S/C42H48N12O6/c43-36(55)30-12-5-6-16-48-40(59)34-35(47-19-18-46-34)41(60)54-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(57)52-31(13-7-17-49-42(44)45)37(56)53-33(39(58)51-30)22-27-23-50-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,18-20,23,30-33,50H,5-7,12-13,16-17,21-22H2,(H2,43,55)(H,48,59)(H,51,58)(H,52,57)(H,53,56)(H,54,60)(H4,44,45,49)/t30-,31-,32+,33-/m0/s1
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n/an/a 707n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC1 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50230826
PNG
(CHEMBL253574 | c[CO-o-C6H4-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:46.49,7.6,11.11,22.27,wD:42.65,(33.84,5.13,;32.52,4.36,;31.18,5.12,;32.52,2.81,;31.18,2.04,;31.19,.49,;29.85,-.28,;29.86,-1.82,;28.53,-2.6,;27.19,-1.83,;27.19,-.28,;25.86,-2.61,;25.87,-4.15,;27.21,-4.91,;27.2,-6.45,;28.54,-7.22,;29.95,-6.65,;29.86,-4.89,;28.54,-4.14,;24.53,-1.84,;23.47,-2.97,;23.92,-4.44,;21.98,-2.62,;21.37,-1.2,;19.83,-1.34,;19.49,-2.84,;20.81,-3.62,;20.95,-5.16,;22.34,-5.81,;19.69,-6.04,;18.3,-5.39,;17.03,-6.27,;17.17,-7.8,;18.57,-8.45,;19.82,-7.57,;21.4,-8.15,;21.36,-9.74,;26.99,-9.56,;28.51,-8.69,;29.83,-9.48,;31.17,-8.72,;31.19,-7.19,;32.53,-6.43,;32.54,-4.89,;33.87,-4.12,;35.22,-4.88,;33.87,-2.58,;35.2,-1.8,;36.54,-2.57,;36.72,-4.1,;38.22,-4.41,;38.97,-3.07,;40.47,-2.76,;40.95,-1.29,;39.91,-.16,;38.42,-.48,;37.95,-1.94,;32.53,-1.81,;31.2,-2.59,;31.21,-4.14,;33.84,-7.21,;35.19,-6.46,;33.83,-8.75,)|
Show InChI InChI=1S/C45H55N11O7/c46-38(57)33-18-8-9-21-49-39(58)30-15-4-5-16-31(30)44(63)56-23-11-20-37(56)43(62)55-35(24-27-12-2-1-3-13-27)41(60)53-34(19-10-22-50-45(47)48)40(59)54-36(42(61)52-33)25-28-26-51-32-17-7-6-14-29(28)32/h1-7,12-17,26,33-37,51H,8-11,18-25H2,(H2,46,57)(H,49,58)(H,52,61)(H,53,60)(H,54,59)(H,55,62)(H4,47,48,50)/t33-,34-,35+,36-,37-/m0/s1
KEGG

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n/an/a 777n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50230822
PNG
((3R,6S,9S,12S,25aS)-3-benzyl-6-(3-carbamimidamidop...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)C=CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |w:29.30,wU:22.27,42.44,7.6,11.11,wD:38.60,(29.44,-37.07,;28.12,-37.86,;26.79,-37.09,;28.13,-39.4,;26.79,-40.17,;26.8,-41.72,;25.46,-42.49,;25.47,-44.03,;24.14,-44.81,;22.8,-44.04,;22.79,-42.49,;21.46,-44.81,;21.47,-46.36,;22.81,-47.12,;22.76,-48.48,;24.14,-49.43,;25.55,-48.86,;25.47,-47.1,;24.15,-46.35,;20.13,-44.06,;19,-45.1,;19.34,-46.59,;17.53,-44.65,;17.02,-43.18,;15.48,-43.21,;15.02,-44.69,;16.3,-45.57,;16.3,-47.34,;17.83,-48.21,;14.77,-48.22,;14.77,-49.99,;16.31,-50.86,;16.31,-52.63,;22.72,-51.69,;24.12,-50.9,;25.44,-51.69,;26.78,-50.93,;26.8,-49.39,;28.12,-48.65,;28.14,-47.1,;29.47,-46.33,;30.81,-47.09,;29.46,-44.78,;30.8,-44.01,;32.14,-44.79,;32.32,-46.31,;33.82,-46.62,;34.58,-45.29,;36.07,-44.96,;36.56,-43.5,;35.51,-42.37,;34.02,-42.69,;33.55,-44.15,;28.13,-44.03,;26.81,-44.79,;26.82,-46.35,;29.44,-49.42,;30.78,-48.68,;29.43,-50.97,)|
Show InChI InChI=1S/C41H53N11O7/c42-36(55)29-14-6-7-19-45-34(53)17-18-35(54)52-21-9-16-33(52)40(59)51-31(22-25-10-2-1-3-11-25)38(57)49-30(15-8-20-46-41(43)44)37(56)50-32(39(58)48-29)23-26-24-47-28-13-5-4-12-27(26)28/h1-5,10-13,17-18,24,29-33,47H,6-9,14-16,19-23H2,(H2,42,55)(H,45,53)(H,48,58)(H,49,57)(H,50,56)(H,51,59)(H4,43,44,46)/t29-,30-,31+,32-,33-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50230819
PNG
(CHEMBL398664 | c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:22.27,41.43,7.6,11.11,wD:37.59,(33.9,-17.56,;32.57,-18.34,;31.24,-17.58,;32.58,-19.89,;31.24,-20.66,;31.25,-22.2,;29.91,-22.97,;29.92,-24.51,;28.59,-25.29,;27.26,-24.52,;27.25,-22.98,;25.92,-25.29,;25.93,-26.84,;27.27,-27.59,;27.22,-28.96,;28.6,-29.9,;30.01,-29.34,;29.92,-27.58,;28.6,-26.82,;24.59,-24.53,;23.46,-25.58,;23.81,-27.07,;22,-25.12,;21.5,-23.67,;19.96,-23.7,;19.5,-25.16,;20.76,-26.05,;20.77,-27.81,;19.63,-28.94,;24.23,-27.81,;25.82,-29.74,;25.8,-31.34,;27.18,-32.16,;28.58,-31.37,;29.89,-32.16,;31.23,-31.4,;31.25,-29.87,;32.58,-29.12,;32.59,-27.58,;33.92,-26.81,;35.26,-27.57,;33.92,-25.26,;35.25,-24.49,;36.59,-25.26,;36.76,-26.78,;38.26,-27.1,;39.02,-25.76,;40.51,-25.44,;41,-23.98,;39.95,-22.85,;38.46,-23.17,;38,-24.63,;32.58,-24.51,;31.26,-25.28,;31.27,-26.82,;33.89,-29.9,;35.24,-29.14,;33.88,-31.43,)|
Show InChI InChI=1S/C41H57N11O6/c42-36(54)30-15-6-7-19-45-20-9-18-35(53)52-22-10-17-34(52)40(58)51-32(23-26-11-2-1-3-12-26)38(56)49-31(16-8-21-46-41(43)44)37(55)50-33(39(57)48-30)24-27-25-47-29-14-5-4-13-28(27)29/h1-5,11-14,25,30-34,45,47H,6-10,15-24H2,(H2,42,54)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,46)/t30-,31-,32+,33-,34-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50230823
PNG
(CHEMBL411391 | c[CO-(CH2)2-CO-Nle-D-Phe-Arg-Trp-Ly...)
Show SMILES N[C@H]1CCCCC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O |wU:21.21,17.60,35.37,wD:46.48,1.0,(12.38,-45.7,;13.72,-44.93,;15.05,-45.7,;15.05,-47.24,;13.72,-48.01,;13.72,-49.55,;15.05,-50.32,;16.38,-49.55,;15.05,-51.85,;16.38,-52.62,;17.71,-51.85,;17.71,-50.32,;21.74,-52.65,;23.07,-51.88,;23.07,-50.34,;21.74,-49.57,;21.74,-48.03,;20.41,-47.27,;20.41,-45.72,;21.75,-44.94,;23.09,-45.72,;21.75,-43.39,;23.09,-42.63,;24.42,-43.39,;24.6,-44.93,;26.11,-45.25,;26.87,-43.92,;28.38,-43.6,;28.86,-42.13,;27.83,-40.99,;26.33,-41.31,;25.84,-42.76,;20.41,-42.63,;20.41,-41.08,;21.75,-40.3,;19.07,-40.3,;19.07,-38.76,;20.41,-37.99,;20.41,-36.44,;21.75,-35.66,;21.75,-34.12,;23.09,-33.35,;20.41,-33.35,;17.73,-41.08,;16.39,-40.3,;16.39,-38.76,;15.05,-41.08,;13.72,-40.3,;13.72,-38.76,;15.05,-37.99,;15.05,-36.45,;13.72,-35.67,;12.38,-36.46,;12.38,-38,;15.05,-42.63,;13.72,-43.39,;12.38,-42.63,;19.08,-48.03,;19.08,-49.57,;17.75,-47.27,)|
Show InChI InChI=1S/C42H59N11O7/c43-30-15-6-4-13-28(54)19-20-36(55)47-21-9-8-17-32(37(44)56)50-41(60)35(24-27-25-49-31-16-7-5-14-29(27)31)53-39(58)33(18-10-22-48-42(45)46)51-40(59)34(52-38(30)57)23-26-11-2-1-3-12-26/h1-3,5,7,11-12,14,16,25,30,32-35,49H,4,6,8-10,13,15,17-24,43H2,(H2,44,56)(H,47,55)(H,50,60)(H,51,59)(H,52,57)(H,53,58)(H4,45,46,48)/t30-,32-,33-,34+,35-/m0/s1
KEGG

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n/an/a 930n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50230826
PNG
(CHEMBL253574 | c[CO-o-C6H4-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:46.49,7.6,11.11,22.27,wD:42.65,(33.84,5.13,;32.52,4.36,;31.18,5.12,;32.52,2.81,;31.18,2.04,;31.19,.49,;29.85,-.28,;29.86,-1.82,;28.53,-2.6,;27.19,-1.83,;27.19,-.28,;25.86,-2.61,;25.87,-4.15,;27.21,-4.91,;27.2,-6.45,;28.54,-7.22,;29.95,-6.65,;29.86,-4.89,;28.54,-4.14,;24.53,-1.84,;23.47,-2.97,;23.92,-4.44,;21.98,-2.62,;21.37,-1.2,;19.83,-1.34,;19.49,-2.84,;20.81,-3.62,;20.95,-5.16,;22.34,-5.81,;19.69,-6.04,;18.3,-5.39,;17.03,-6.27,;17.17,-7.8,;18.57,-8.45,;19.82,-7.57,;21.4,-8.15,;21.36,-9.74,;26.99,-9.56,;28.51,-8.69,;29.83,-9.48,;31.17,-8.72,;31.19,-7.19,;32.53,-6.43,;32.54,-4.89,;33.87,-4.12,;35.22,-4.88,;33.87,-2.58,;35.2,-1.8,;36.54,-2.57,;36.72,-4.1,;38.22,-4.41,;38.97,-3.07,;40.47,-2.76,;40.95,-1.29,;39.91,-.16,;38.42,-.48,;37.95,-1.94,;32.53,-1.81,;31.2,-2.59,;31.21,-4.14,;33.84,-7.21,;35.19,-6.46,;33.83,-8.75,)|
Show InChI InChI=1S/C45H55N11O7/c46-38(57)33-18-8-9-21-49-39(58)30-15-4-5-16-31(30)44(63)56-23-11-20-37(56)43(62)55-35(24-27-12-2-1-3-13-27)41(60)53-34(19-10-22-50-45(47)48)40(59)54-36(42(61)52-33)25-28-26-51-32-17-7-6-14-29(28)32/h1-7,12-17,26,33-37,51H,8-11,18-25H2,(H2,46,57)(H,49,58)(H,52,61)(H,53,60)(H,54,59)(H,55,62)(H4,47,48,50)/t33-,34-,35+,36-,37-/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
Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50230819
PNG
(CHEMBL398664 | c[CO-(CH2)3-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:22.27,41.43,7.6,11.11,wD:37.59,(33.9,-17.56,;32.57,-18.34,;31.24,-17.58,;32.58,-19.89,;31.24,-20.66,;31.25,-22.2,;29.91,-22.97,;29.92,-24.51,;28.59,-25.29,;27.26,-24.52,;27.25,-22.98,;25.92,-25.29,;25.93,-26.84,;27.27,-27.59,;27.22,-28.96,;28.6,-29.9,;30.01,-29.34,;29.92,-27.58,;28.6,-26.82,;24.59,-24.53,;23.46,-25.58,;23.81,-27.07,;22,-25.12,;21.5,-23.67,;19.96,-23.7,;19.5,-25.16,;20.76,-26.05,;20.77,-27.81,;19.63,-28.94,;24.23,-27.81,;25.82,-29.74,;25.8,-31.34,;27.18,-32.16,;28.58,-31.37,;29.89,-32.16,;31.23,-31.4,;31.25,-29.87,;32.58,-29.12,;32.59,-27.58,;33.92,-26.81,;35.26,-27.57,;33.92,-25.26,;35.25,-24.49,;36.59,-25.26,;36.76,-26.78,;38.26,-27.1,;39.02,-25.76,;40.51,-25.44,;41,-23.98,;39.95,-22.85,;38.46,-23.17,;38,-24.63,;32.58,-24.51,;31.26,-25.28,;31.27,-26.82,;33.89,-29.9,;35.24,-29.14,;33.88,-31.43,)|
Show InChI InChI=1S/C41H57N11O6/c42-36(54)30-15-6-7-19-45-20-9-18-35(53)52-22-10-17-34(52)40(58)51-32(23-26-11-2-1-3-12-26)38(56)49-31(16-8-21-46-41(43)44)37(55)50-33(39(57)48-30)24-27-25-47-29-14-5-4-13-28(27)29/h1-5,11-14,25,30-34,45,47H,6-10,15-24H2,(H2,42,54)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,46)/t30-,31-,32+,33-,34-/m0/s1
KEGG

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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 MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50230822
PNG
((3R,6S,9S,12S,25aS)-3-benzyl-6-(3-carbamimidamidop...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)C=CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |w:29.30,wU:22.27,42.44,7.6,11.11,wD:38.60,(29.44,-37.07,;28.12,-37.86,;26.79,-37.09,;28.13,-39.4,;26.79,-40.17,;26.8,-41.72,;25.46,-42.49,;25.47,-44.03,;24.14,-44.81,;22.8,-44.04,;22.79,-42.49,;21.46,-44.81,;21.47,-46.36,;22.81,-47.12,;22.76,-48.48,;24.14,-49.43,;25.55,-48.86,;25.47,-47.1,;24.15,-46.35,;20.13,-44.06,;19,-45.1,;19.34,-46.59,;17.53,-44.65,;17.02,-43.18,;15.48,-43.21,;15.02,-44.69,;16.3,-45.57,;16.3,-47.34,;17.83,-48.21,;14.77,-48.22,;14.77,-49.99,;16.31,-50.86,;16.31,-52.63,;22.72,-51.69,;24.12,-50.9,;25.44,-51.69,;26.78,-50.93,;26.8,-49.39,;28.12,-48.65,;28.14,-47.1,;29.47,-46.33,;30.81,-47.09,;29.46,-44.78,;30.8,-44.01,;32.14,-44.79,;32.32,-46.31,;33.82,-46.62,;34.58,-45.29,;36.07,-44.96,;36.56,-43.5,;35.51,-42.37,;34.02,-42.69,;33.55,-44.15,;28.13,-44.03,;26.81,-44.79,;26.82,-46.35,;29.44,-49.42,;30.78,-48.68,;29.43,-50.97,)|
Show InChI InChI=1S/C41H53N11O7/c42-36(55)29-14-6-7-19-45-34(53)17-18-35(54)52-21-9-16-33(52)40(59)51-31(22-25-10-2-1-3-11-25)38(57)49-30(15-8-20-46-41(43)44)37(56)50-32(39(58)48-29)23-26-24-47-28-13-5-4-12-27(26)28/h1-5,10-13,17-18,24,29-33,47H,6-9,14-16,19-23H2,(H2,42,55)(H,45,53)(H,48,58)(H,49,57)(H,50,56)(H,51,59)(H4,43,44,46)/t29-,30-,31+,32-,33-/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 MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50343650
PNG
((2S,5S,8R,11S,14S,17S,20S)-5-((1H-indol-3-yl)methy...)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.0,54.73,16.16,wD:27.28,5.5,58.61,41.44,(36.67,-5.33,;36.67,-6.88,;35.34,-7.64,;34,-6.88,;34,-5.33,;32.67,-7.64,;32.67,-9.18,;34,-9.96,;34,-11.5,;35.33,-12.27,;35.33,-13.82,;36.66,-14.59,;33.99,-14.59,;31.33,-6.88,;29.99,-7.64,;29.99,-9.18,;28.66,-6.88,;27.33,-7.66,;27.34,-9.2,;28.68,-9.95,;28.69,-11.49,;27.36,-12.28,;26.03,-11.52,;26.01,-9.97,;28.64,-5.33,;29.96,-4.55,;31.31,-5.31,;29.95,-3.01,;28.6,-2.25,;27.24,-2.97,;27.01,-4.49,;25.5,-4.75,;24.77,-3.39,;23.29,-3,;22.87,-1.52,;23.95,-.42,;25.44,-.8,;25.86,-2.28,;31.27,-2.23,;32.61,-2.98,;32.64,-4.52,;33.94,-2.2,;33.92,-.65,;35.25,.13,;35.23,1.67,;36.56,2.46,;36.55,4,;37.88,4.78,;35.2,4.75,;35.29,-2.96,;43.31,-2.98,;44.64,-2.2,;43.33,-4.53,;44.66,-5.29,;44.68,-6.82,;43.35,-7.61,;42.01,-6.85,;42,-5.31,;40.68,-7.63,;40.69,-9.17,;42.04,-9.93,;43.37,-9.15,;44.71,-9.91,;44.72,-11.45,;43.4,-12.23,;42.05,-11.48,;39.34,-6.88,;38.01,-7.64,;38.01,-9.18,;46.02,-7.58,;47.35,-6.81,;46.03,-9.12,)|
Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36-,37-,38+,39-/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]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting


Bioorg Med Chem Lett 21: 3099-102 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50230815
PNG
(CHEMBL409982 | c[CO-2,6-pyridine-CO-D-Nal(2)-Arg-T...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2cccc(n2)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:43.46,7.6,wD:11.11,39.62,(2.86,-14.47,;1.52,-15.23,;.19,-14.47,;1.52,-16.77,;.19,-17.55,;.19,-19.09,;-1.15,-19.86,;-1.15,-21.4,;-2.49,-22.17,;-3.82,-21.4,;-3.82,-19.86,;-5.16,-22.17,;-6.49,-21.4,;-6.49,-19.86,;-5.15,-19.1,;-5.15,-17.56,;-6.48,-16.78,;-6.48,-15.24,;-7.83,-14.46,;-9.17,-15.25,;-9.16,-16.8,;-7.82,-17.56,;-7.81,-19.1,;-5.16,-23.71,;-6.49,-24.48,;-7.82,-23.71,;-6.49,-26.02,;-5.16,-26.78,;-5.16,-28.32,;-6.49,-29.1,;-7.83,-28.33,;-7.83,-26.79,;-9,-29.08,;-10.69,-29.1,;-5.12,-31.4,;-3.8,-30.63,;-2.47,-31.4,;-1.14,-30.63,;-1.14,-29.1,;.19,-28.34,;.19,-26.79,;1.52,-26.02,;2.86,-26.79,;1.52,-24.48,;2.86,-23.71,;4.18,-24.48,;4.36,-26.01,;5.87,-26.33,;6.63,-25,;8.13,-24.68,;8.61,-23.22,;7.58,-22.08,;6.08,-22.4,;5.6,-23.85,;.19,-23.71,;.19,-22.17,;1.52,-21.4,;1.51,-29.1,;2.84,-28.34,;1.51,-30.63,)|
Show InChI InChI=1S/C43H49N11O6/c44-37(55)31-13-5-6-19-47-38(56)32-14-7-15-33(50-32)39(57)53-35(22-25-17-18-26-9-1-2-10-27(26)21-25)41(59)52-34(16-8-20-48-43(45)46)40(58)54-36(42(60)51-31)23-28-24-49-30-12-4-3-11-29(28)30/h1-4,7,9-12,14-15,17-18,21,24,31,34-36,49H,5-6,8,13,16,19-20,22-23H2,(H2,44,55)(H,47,56)(H,51,60)(H,52,59)(H,53,57)(H,54,58)(H4,45,46,48)/t31-,34-,35+,36-/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 MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50230826
PNG
(CHEMBL253574 | c[CO-o-C6H4-CO-Pro-D-Phe-Arg-Trp-Ly...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:46.49,7.6,11.11,22.27,wD:42.65,(33.84,5.13,;32.52,4.36,;31.18,5.12,;32.52,2.81,;31.18,2.04,;31.19,.49,;29.85,-.28,;29.86,-1.82,;28.53,-2.6,;27.19,-1.83,;27.19,-.28,;25.86,-2.61,;25.87,-4.15,;27.21,-4.91,;27.2,-6.45,;28.54,-7.22,;29.95,-6.65,;29.86,-4.89,;28.54,-4.14,;24.53,-1.84,;23.47,-2.97,;23.92,-4.44,;21.98,-2.62,;21.37,-1.2,;19.83,-1.34,;19.49,-2.84,;20.81,-3.62,;20.95,-5.16,;22.34,-5.81,;19.69,-6.04,;18.3,-5.39,;17.03,-6.27,;17.17,-7.8,;18.57,-8.45,;19.82,-7.57,;21.4,-8.15,;21.36,-9.74,;26.99,-9.56,;28.51,-8.69,;29.83,-9.48,;31.17,-8.72,;31.19,-7.19,;32.53,-6.43,;32.54,-4.89,;33.87,-4.12,;35.22,-4.88,;33.87,-2.58,;35.2,-1.8,;36.54,-2.57,;36.72,-4.1,;38.22,-4.41,;38.97,-3.07,;40.47,-2.76,;40.95,-1.29,;39.91,-.16,;38.42,-.48,;37.95,-1.94,;32.53,-1.81,;31.2,-2.59,;31.21,-4.14,;33.84,-7.21,;35.19,-6.46,;33.83,-8.75,)|
Show InChI InChI=1S/C45H55N11O7/c46-38(57)33-18-8-9-21-49-39(58)30-15-4-5-16-31(30)44(63)56-23-11-20-37(56)43(62)55-35(24-27-12-2-1-3-13-27)41(60)53-34(19-10-22-50-45(47)48)40(59)54-36(42(61)52-33)25-28-26-51-32-17-7-6-14-29(28)32/h1-7,12-17,26,33-37,51H,8-11,18-25H2,(H2,46,57)(H,49,58)(H,52,61)(H,53,60)(H,54,59)(H,55,62)(H4,47,48,50)/t33-,34-,35+,36-,37-/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 MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50230820
PNG
(CHEMBL253789 | c[CO-2,3-pyrazine-CO-D-Nal(2)-Arg-T...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2nccnc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:43.46,7.6,wD:11.11,39.62,(1.05,-35.53,;-.28,-36.3,;-1.62,-35.53,;-.28,-37.84,;-1.62,-38.61,;-1.62,-40.15,;-2.95,-40.92,;-2.95,-42.46,;-4.29,-43.23,;-5.62,-42.46,;-5.62,-40.92,;-6.96,-43.23,;-8.29,-42.46,;-8.29,-40.92,;-6.95,-40.16,;-6.95,-38.62,;-8.28,-37.85,;-8.29,-36.3,;-9.65,-35.53,;-10.99,-36.33,;-10.97,-37.88,;-9.62,-38.64,;-9.62,-40.16,;-6.96,-44.78,;-8.29,-45.54,;-9.62,-44.78,;-8.29,-47.08,;-9.63,-47.85,;-9.63,-49.39,;-8.29,-50.16,;-6.96,-49.38,;-6.97,-47.85,;-5.64,-47.08,;-5.64,-45.55,;-4.31,-47.84,;-4.31,-49.38,;-5.64,-50.14,;-2.95,-51.69,;-2.98,-50.14,;-1.62,-49.4,;-1.62,-47.86,;-.28,-47.08,;1.05,-47.86,;-.28,-45.54,;1.05,-44.78,;2.38,-45.54,;2.55,-47.07,;4.06,-47.39,;4.82,-46.06,;6.32,-45.74,;6.8,-44.28,;5.77,-43.14,;4.27,-43.46,;3.79,-44.91,;-1.62,-44.78,;-1.62,-43.23,;-.28,-42.46,;-.29,-50.16,;1.03,-49.4,;-.29,-51.69,)|
Show InChI InChI=1S/C42H48N12O6/c43-36(55)30-12-5-6-16-48-40(59)34-35(47-19-18-46-34)41(60)54-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(57)52-31(13-7-17-49-42(44)45)37(56)53-33(39(58)51-30)22-27-23-50-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,18-20,23,30-33,50H,5-7,12-13,16-17,21-22H2,(H2,43,55)(H,48,59)(H,51,58)(H,52,57)(H,53,56)(H,54,60)(H4,44,45,49)/t30-,31-,32+,33-/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 MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50230815
PNG
(CHEMBL409982 | c[CO-2,6-pyridine-CO-D-Nal(2)-Arg-T...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2cccc(n2)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:43.46,7.6,wD:11.11,39.62,(2.86,-14.47,;1.52,-15.23,;.19,-14.47,;1.52,-16.77,;.19,-17.55,;.19,-19.09,;-1.15,-19.86,;-1.15,-21.4,;-2.49,-22.17,;-3.82,-21.4,;-3.82,-19.86,;-5.16,-22.17,;-6.49,-21.4,;-6.49,-19.86,;-5.15,-19.1,;-5.15,-17.56,;-6.48,-16.78,;-6.48,-15.24,;-7.83,-14.46,;-9.17,-15.25,;-9.16,-16.8,;-7.82,-17.56,;-7.81,-19.1,;-5.16,-23.71,;-6.49,-24.48,;-7.82,-23.71,;-6.49,-26.02,;-5.16,-26.78,;-5.16,-28.32,;-6.49,-29.1,;-7.83,-28.33,;-7.83,-26.79,;-9,-29.08,;-10.69,-29.1,;-5.12,-31.4,;-3.8,-30.63,;-2.47,-31.4,;-1.14,-30.63,;-1.14,-29.1,;.19,-28.34,;.19,-26.79,;1.52,-26.02,;2.86,-26.79,;1.52,-24.48,;2.86,-23.71,;4.18,-24.48,;4.36,-26.01,;5.87,-26.33,;6.63,-25,;8.13,-24.68,;8.61,-23.22,;7.58,-22.08,;6.08,-22.4,;5.6,-23.85,;.19,-23.71,;.19,-22.17,;1.52,-21.4,;1.51,-29.1,;2.84,-28.34,;1.51,-30.63,)|
Show InChI InChI=1S/C43H49N11O6/c44-37(55)31-13-5-6-19-47-38(56)32-14-7-15-33(50-32)39(57)53-35(22-25-17-18-26-9-1-2-10-27(26)21-25)41(59)52-34(16-8-20-48-43(45)46)40(58)54-36(42(60)51-31)23-28-24-49-30-12-4-3-11-29(28)30/h1-4,7,9-12,14-15,17-18,21,24,31,34-36,49H,5-6,8,13,16,19-20,22-23H2,(H2,44,55)(H,47,56)(H,51,60)(H,52,59)(H,53,57)(H,54,58)(H4,45,46,48)/t31-,34-,35+,36-/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 MC4 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50343649
PNG
((2S,5S,8S,11R,14S,17S,20S)-5-((1H-indol-3-yl)methy...)
Show SMILES C[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:5.5,1.0,54.73,wD:27.28,58.61,16.16,41.44,(34.32,-23.94,;34.32,-25.48,;32.99,-26.24,;31.66,-25.48,;31.66,-23.94,;30.33,-26.24,;30.33,-27.78,;31.66,-28.56,;31.65,-30.1,;30.32,-30.86,;30.32,-32.4,;28.98,-33.17,;31.65,-33.18,;28.99,-25.48,;27.65,-26.24,;27.65,-27.78,;26.32,-25.48,;24.99,-26.26,;25,-27.8,;26.34,-28.55,;26.35,-30.09,;25.02,-30.87,;23.69,-30.11,;23.67,-28.57,;26.3,-23.94,;27.62,-23.15,;28.97,-23.91,;27.61,-21.62,;26.27,-20.86,;24.9,-21.57,;24.68,-23.1,;23.16,-23.35,;22.44,-21.99,;20.95,-21.61,;20.54,-20.12,;21.62,-19.02,;23.11,-19.41,;23.52,-20.89,;28.93,-20.83,;30.27,-21.59,;30.29,-23.13,;31.6,-20.8,;31.58,-19.26,;32.91,-18.47,;32.89,-16.93,;34.22,-16.15,;34.2,-14.61,;35.52,-13.83,;32.85,-13.85,;32.94,-21.56,;40.96,-21.59,;42.28,-20.81,;40.97,-23.13,;42.31,-23.89,;42.33,-25.43,;41,-26.21,;39.66,-25.45,;39.65,-23.91,;38.33,-26.23,;38.34,-27.77,;39.69,-28.53,;41.02,-27.75,;42.36,-28.51,;42.37,-30.05,;41.04,-30.82,;39.7,-30.07,;36.99,-25.48,;35.66,-26.24,;35.66,-27.78,;43.67,-26.18,;44.99,-25.4,;43.68,-27.72,)|
Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36+,37-,38-,39-/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
Agonist activity at human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 21: 3099-102 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50230821
PNG
(CHEMBL438744 | c[CO-2,3-pyrazine-CO-D-Phe-Arg-Trp-...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nccnc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:7.6,39.41,wD:11.11,35.57,(23.78,-12.89,;22.44,-13.66,;21.11,-12.89,;22.44,-15.2,;21.11,-15.97,;21.11,-17.51,;19.77,-18.28,;19.77,-19.82,;18.43,-20.6,;17.1,-19.82,;17.1,-18.28,;15.76,-20.6,;14.43,-19.82,;14.43,-18.28,;15.77,-17.52,;15.77,-15.98,;14.44,-15.21,;13.1,-15.99,;13.11,-17.52,;15.76,-22.14,;14.43,-22.9,;13.1,-22.14,;14.43,-24.44,;13.09,-25.21,;13.09,-26.75,;14.43,-27.52,;15.76,-26.75,;15.76,-25.21,;17.08,-24.44,;17.08,-22.91,;18.41,-25.21,;18.41,-26.74,;17.09,-27.51,;19.78,-29.06,;19.74,-27.5,;21.11,-26.76,;21.11,-25.22,;22.44,-24.44,;23.78,-25.22,;22.44,-22.9,;23.78,-22.14,;25.1,-22.9,;25.28,-24.43,;26.79,-24.75,;27.55,-23.43,;29.05,-23.1,;29.53,-21.64,;28.5,-20.5,;27,-20.82,;26.52,-22.28,;21.11,-22.14,;21.11,-20.6,;22.44,-19.82,;22.43,-27.53,;23.76,-26.76,;22.43,-29.06,)|
Show InChI InChI=1S/C38H46N12O6/c39-32(51)26-13-6-7-15-44-36(55)30-31(43-18-17-42-30)37(56)50-28(19-22-9-2-1-3-10-22)34(53)48-27(14-8-16-45-38(40)41)33(52)49-29(35(54)47-26)20-23-21-46-25-12-5-4-11-24(23)25/h1-5,9-12,17-18,21,26-29,46H,6-8,13-16,19-20H2,(H2,39,51)(H,44,55)(H,47,54)(H,48,53)(H,49,52)(H,50,56)(H4,40,41,45)/t26-,27-,28+,29-/m0/s1
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n/an/a 1.10E+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 MC3 receptor expressed in HEK293 cells


J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair
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