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Compile Data Set for Download or QSAR

Found 208 hits with Last Name = 'van scoy' and Initial = 'ar'   
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
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 0.200n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC1R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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 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
KEGG

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n/an/a 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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 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 1.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50184355
PNG
(CHEMBL204310 | c[Nle-Gln-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCC(N)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(-1.67,-15.57,;-1.66,-17.11,;-.58,-17.83,;-.58,-19.35,;.64,-20.05,;2.35,-19.43,;2.34,-17.88,;1.01,-17.12,;3.56,-17.11,;4.08,-15.82,;5.6,-15.61,;6.37,-16.95,;7.13,-18.28,;8.62,-17.87,;7.53,-19.77,;9.07,-19.77,;9.84,-21.11,;9.83,-22.65,;11.3,-23.13,;12.2,-21.89,;13.73,-21.74,;14.37,-20.34,;13.47,-19.08,;11.94,-19.24,;11.31,-20.63,;6.59,-20.98,;7.18,-22.41,;8.72,-22.4,;6.77,-23.89,;7.87,-24.98,;9.35,-24.58,;10.44,-25.67,;11.93,-25.27,;13.02,-26.36,;14.51,-25.97,;12.62,-27.85,;5.43,-24.66,;4.11,-23.87,;4.12,-22.33,;2.77,-24.64,;2.76,-26.18,;4.1,-26.95,;5.42,-26.19,;6.75,-26.95,;6.76,-28.5,;8.09,-29.27,;8.09,-30.81,;6.75,-31.59,;5.41,-30.81,;5.41,-29.27,;4.09,-28.49,;1.43,-23.87,;.1,-24.63,;.1,-26.17,;-1.23,-23.86,;-2.43,-24.59,;-3.65,-23.92,;-4.85,-24.64,;-4.82,-26.03,;-6.07,-23.96,;-1.23,-22.33,;.3,-21.57,;1.53,-22.32,;6.38,-14.28,;5.61,-12.94,;7.92,-14.28,)|
Show InChI InChI=1S/C46H60N12O8/c1-2-3-12-33-41(62)56-35(17-19-38(47)59)43(64)57-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)55-34(14-8-21-51-46(49)50)42(63)58-37(24-29-25-52-31-13-7-6-11-30(29)31)45(66)54-32(40(48)61)18-20-39(60)53-33/h4-7,9-11,13,15-16,22,25,32-37,52H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,59)(H2,48,61)(H,53,60)(H,54,66)(H,55,65)(H,56,62)(H,57,64)(H,58,63)(H4,49,50,51)/t32-,33-,34-,35-,36+,37-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50184355
PNG
(CHEMBL204310 | c[Nle-Gln-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCC(N)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(-1.67,-15.57,;-1.66,-17.11,;-.58,-17.83,;-.58,-19.35,;.64,-20.05,;2.35,-19.43,;2.34,-17.88,;1.01,-17.12,;3.56,-17.11,;4.08,-15.82,;5.6,-15.61,;6.37,-16.95,;7.13,-18.28,;8.62,-17.87,;7.53,-19.77,;9.07,-19.77,;9.84,-21.11,;9.83,-22.65,;11.3,-23.13,;12.2,-21.89,;13.73,-21.74,;14.37,-20.34,;13.47,-19.08,;11.94,-19.24,;11.31,-20.63,;6.59,-20.98,;7.18,-22.41,;8.72,-22.4,;6.77,-23.89,;7.87,-24.98,;9.35,-24.58,;10.44,-25.67,;11.93,-25.27,;13.02,-26.36,;14.51,-25.97,;12.62,-27.85,;5.43,-24.66,;4.11,-23.87,;4.12,-22.33,;2.77,-24.64,;2.76,-26.18,;4.1,-26.95,;5.42,-26.19,;6.75,-26.95,;6.76,-28.5,;8.09,-29.27,;8.09,-30.81,;6.75,-31.59,;5.41,-30.81,;5.41,-29.27,;4.09,-28.49,;1.43,-23.87,;.1,-24.63,;.1,-26.17,;-1.23,-23.86,;-2.43,-24.59,;-3.65,-23.92,;-4.85,-24.64,;-4.82,-26.03,;-6.07,-23.96,;-1.23,-22.33,;.3,-21.57,;1.53,-22.32,;6.38,-14.28,;5.61,-12.94,;7.92,-14.28,)|
Show InChI InChI=1S/C46H60N12O8/c1-2-3-12-33-41(62)56-35(17-19-38(47)59)43(64)57-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)55-34(14-8-21-51-46(49)50)42(63)58-37(24-29-25-52-31-13-7-6-11-30(29)31)45(66)54-32(40(48)61)18-20-39(60)53-33/h4-7,9-11,13,15-16,22,25,32-37,52H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,59)(H2,48,61)(H,53,60)(H,54,66)(H,55,65)(H,56,62)(H,57,64)(H,58,63)(H4,49,50,51)/t32-,33-,34-,35-,36+,37-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50184361
PNG
(CHEMBL413573 | c[Nle-Val-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](NC1=O)C(C)C)C(N)=O |wU:10.65,39.41,wD:28.30,14.14,4.3,54.62,(-1.6,3.95,;-1.59,2.41,;-.5,1.69,;-.51,.17,;.72,-.53,;2.42,.09,;2.41,1.63,;1.08,2.4,;3.63,2.41,;4.15,3.69,;5.67,3.91,;6.44,2.57,;7.2,1.24,;8.68,1.65,;7.6,-.25,;9.13,-.25,;9.91,-1.59,;9.9,-3.13,;11.37,-3.61,;12.27,-2.37,;13.8,-2.22,;14.44,-.82,;13.53,.43,;12,.28,;11.38,-1.12,;6.66,-1.46,;7.24,-2.89,;8.78,-2.88,;6.84,-4.37,;7.94,-5.46,;9.43,-5.06,;10.51,-6.15,;11.99,-5.75,;13.09,-6.84,;14.58,-6.44,;12.69,-8.33,;5.5,-5.13,;4.18,-4.35,;4.19,-2.81,;2.84,-5.12,;2.83,-6.66,;4.17,-7.43,;5.49,-6.66,;6.82,-7.43,;6.83,-8.98,;8.15,-9.75,;8.15,-11.29,;6.81,-12.06,;5.48,-11.28,;5.48,-9.74,;4.16,-8.97,;1.49,-4.35,;-.64,-4.52,;-.64,-6.03,;-1.75,-3.24,;-1.03,-2.04,;.38,-2.05,;1.6,-2.81,;-3.15,-3.23,;-3.83,-2.01,;-3.86,-4.43,;6.45,5.23,;5.68,6.57,;7.99,5.23,)|
Show InChI InChI=1S/C46H61N11O7/c1-4-5-14-34-42(61)57-39(26(2)3)45(64)56-36(23-27-17-18-28-11-6-7-12-29(28)22-27)43(62)54-35(16-10-21-50-46(48)49)41(60)55-37(24-30-25-51-32-15-9-8-13-31(30)32)44(63)53-33(40(47)59)19-20-38(58)52-34/h6-9,11-13,15,17-18,22,25-26,33-37,39,51H,4-5,10,14,16,19-21,23-24H2,1-3H3,(H2,47,59)(H,52,58)(H,53,63)(H,54,62)(H,55,60)(H,56,64)(H,57,61)(H4,48,49,50)/t33-,34-,35-,36+,37-,39-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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
KEGG

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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
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50184361
PNG
(CHEMBL413573 | c[Nle-Val-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](NC1=O)C(C)C)C(N)=O |wU:10.65,39.41,wD:28.30,14.14,4.3,54.62,(-1.6,3.95,;-1.59,2.41,;-.5,1.69,;-.51,.17,;.72,-.53,;2.42,.09,;2.41,1.63,;1.08,2.4,;3.63,2.41,;4.15,3.69,;5.67,3.91,;6.44,2.57,;7.2,1.24,;8.68,1.65,;7.6,-.25,;9.13,-.25,;9.91,-1.59,;9.9,-3.13,;11.37,-3.61,;12.27,-2.37,;13.8,-2.22,;14.44,-.82,;13.53,.43,;12,.28,;11.38,-1.12,;6.66,-1.46,;7.24,-2.89,;8.78,-2.88,;6.84,-4.37,;7.94,-5.46,;9.43,-5.06,;10.51,-6.15,;11.99,-5.75,;13.09,-6.84,;14.58,-6.44,;12.69,-8.33,;5.5,-5.13,;4.18,-4.35,;4.19,-2.81,;2.84,-5.12,;2.83,-6.66,;4.17,-7.43,;5.49,-6.66,;6.82,-7.43,;6.83,-8.98,;8.15,-9.75,;8.15,-11.29,;6.81,-12.06,;5.48,-11.28,;5.48,-9.74,;4.16,-8.97,;1.49,-4.35,;-.64,-4.52,;-.64,-6.03,;-1.75,-3.24,;-1.03,-2.04,;.38,-2.05,;1.6,-2.81,;-3.15,-3.23,;-3.83,-2.01,;-3.86,-4.43,;6.45,5.23,;5.68,6.57,;7.99,5.23,)|
Show InChI InChI=1S/C46H61N11O7/c1-4-5-14-34-42(61)57-39(26(2)3)45(64)56-36(23-27-17-18-28-11-6-7-12-29(28)22-27)43(62)54-35(16-10-21-50-46(48)49)41(60)55-37(24-30-25-51-32-15-9-8-13-31(30)32)44(63)53-33(40(47)59)19-20-38(58)52-34/h6-9,11-13,15,17-18,22,25-26,33-37,39,51H,4-5,10,14,16,19-21,23-24H2,1-3H3,(H2,47,59)(H,52,58)(H,53,63)(H,54,62)(H,55,60)(H,56,64)(H,57,61)(H4,48,49,50)/t33-,34-,35-,36+,37-,39-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50184356
PNG
(CHEMBL425591 | c[Nle-His-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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:39.41,10.69,wD:14.14,54.58,28.30,4.3,(-1.57,-31.51,;-1.57,-33.05,;-.48,-33.77,;-.49,-35.29,;.74,-35.99,;2.44,-35.37,;2.43,-33.83,;1.1,-33.07,;3.65,-33.05,;4.17,-31.77,;5.69,-31.56,;6.46,-32.89,;7.21,-34.22,;8.7,-33.81,;7.62,-35.71,;9.15,-35.71,;9.92,-37.05,;9.92,-38.59,;11.38,-39.07,;12.28,-37.83,;13.81,-37.68,;14.45,-36.28,;13.54,-35.02,;12.02,-35.18,;11.39,-36.57,;6.68,-36.92,;7.26,-38.35,;8.8,-38.34,;6.86,-39.83,;7.95,-40.92,;9.44,-40.52,;10.52,-41.6,;12.01,-41.21,;13.1,-42.3,;14.59,-41.9,;12.7,-43.79,;5.52,-40.59,;4.2,-39.81,;4.2,-38.27,;2.86,-40.58,;2.85,-42.12,;4.19,-42.89,;5.51,-42.12,;6.84,-42.88,;6.84,-44.43,;8.17,-45.2,;8.17,-46.74,;6.83,-47.51,;5.5,-46.74,;5.5,-45.2,;4.18,-44.43,;1.52,-39.8,;.18,-40.57,;.17,-42.11,;-1.15,-39.79,;-2.48,-40.56,;-3.81,-39.79,;-3.98,-38.25,;-5.49,-37.93,;-6.27,-39.26,;-5.23,-40.41,;-1.16,-38.25,;.39,-37.51,;1.62,-38.26,;6.47,-30.22,;5.69,-28.89,;8.01,-30.23,)|
Show InChI InChI=1S/C47H59N13O7/c1-2-3-12-35-42(63)60-39(23-31-25-51-26-54-31)46(67)58-37(21-27-15-16-28-9-4-5-10-29(28)20-27)44(65)57-36(14-8-19-52-47(49)50)43(64)59-38(22-30-24-53-33-13-7-6-11-32(30)33)45(66)56-34(41(48)62)17-18-40(61)55-35/h4-7,9-11,13,15-16,20,24-26,34-39,53H,2-3,8,12,14,17-19,21-23H2,1H3,(H2,48,62)(H,51,54)(H,55,61)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,60,63)(H4,49,50,52)/t34-,35-,36-,37+,38-,39-/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
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50184365
PNG
(CHEMBL204263 | c[Nle-Arg-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCCN=C(N)N)NC1=O)C(N)=O |wU:54.58,10.69,39.41,wD:28.30,14.14,4.3,(.89,-34.09,;.89,-35.64,;1.98,-36.36,;1.98,-37.88,;3.2,-38.59,;4.91,-37.96,;4.91,-36.42,;3.57,-35.65,;6.12,-35.64,;6.65,-34.35,;8.17,-34.14,;8.94,-35.48,;9.7,-36.82,;11.19,-36.4,;10.1,-38.31,;11.64,-38.31,;12.42,-39.65,;12.41,-41.19,;13.87,-41.67,;14.78,-40.43,;16.32,-40.28,;16.96,-38.88,;16.05,-37.62,;14.52,-37.77,;13.89,-39.17,;9.16,-39.52,;9.74,-40.95,;11.3,-40.95,;9.34,-42.43,;10.44,-43.53,;11.93,-43.13,;13.02,-44.22,;14.51,-43.82,;15.61,-44.91,;17.1,-44.52,;15.21,-46.41,;8,-43.21,;6.67,-42.41,;6.68,-40.87,;5.33,-43.18,;5.33,-44.73,;6.66,-45.51,;7.99,-44.74,;9.32,-45.5,;9.32,-47.05,;10.66,-47.82,;10.66,-49.36,;9.32,-50.14,;7.98,-49.36,;7.98,-47.82,;6.66,-47.05,;3.99,-42.41,;2.63,-42.83,;2.32,-44.21,;1.59,-41.86,;.25,-42.27,;-.78,-41.32,;-2.11,-41.73,;-3.09,-40.77,;-4.15,-39.83,;-5.49,-40.24,;-3.84,-38.46,;1.62,-40.48,;2.86,-40.11,;4.08,-40.86,;8.95,-32.8,;8.17,-31.46,;10.49,-32.81,)|
Show InChI InChI=1S/C47H64N14O7/c1-2-3-13-34-41(64)58-35(15-8-21-53-46(49)50)42(65)60-37(24-27-17-18-28-10-4-5-11-29(28)23-27)44(67)59-36(16-9-22-54-47(51)52)43(66)61-38(25-30-26-55-32-14-7-6-12-31(30)32)45(68)57-33(40(48)63)19-20-39(62)56-34/h4-7,10-12,14,17-18,23,26,33-38,55H,2-3,8-9,13,15-16,19-22,24-25H2,1H3,(H2,48,63)(H,56,62)(H,57,68)(H,58,64)(H,59,67)(H,60,65)(H,61,66)(H4,49,50,53)(H4,51,52,54)/t33-,34-,35+,36-,37+,38-/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
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50184365
PNG
(CHEMBL204263 | c[Nle-Arg-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCCN=C(N)N)NC1=O)C(N)=O |wU:54.58,10.69,39.41,wD:28.30,14.14,4.3,(.89,-34.09,;.89,-35.64,;1.98,-36.36,;1.98,-37.88,;3.2,-38.59,;4.91,-37.96,;4.91,-36.42,;3.57,-35.65,;6.12,-35.64,;6.65,-34.35,;8.17,-34.14,;8.94,-35.48,;9.7,-36.82,;11.19,-36.4,;10.1,-38.31,;11.64,-38.31,;12.42,-39.65,;12.41,-41.19,;13.87,-41.67,;14.78,-40.43,;16.32,-40.28,;16.96,-38.88,;16.05,-37.62,;14.52,-37.77,;13.89,-39.17,;9.16,-39.52,;9.74,-40.95,;11.3,-40.95,;9.34,-42.43,;10.44,-43.53,;11.93,-43.13,;13.02,-44.22,;14.51,-43.82,;15.61,-44.91,;17.1,-44.52,;15.21,-46.41,;8,-43.21,;6.67,-42.41,;6.68,-40.87,;5.33,-43.18,;5.33,-44.73,;6.66,-45.51,;7.99,-44.74,;9.32,-45.5,;9.32,-47.05,;10.66,-47.82,;10.66,-49.36,;9.32,-50.14,;7.98,-49.36,;7.98,-47.82,;6.66,-47.05,;3.99,-42.41,;2.63,-42.83,;2.32,-44.21,;1.59,-41.86,;.25,-42.27,;-.78,-41.32,;-2.11,-41.73,;-3.09,-40.77,;-4.15,-39.83,;-5.49,-40.24,;-3.84,-38.46,;1.62,-40.48,;2.86,-40.11,;4.08,-40.86,;8.95,-32.8,;8.17,-31.46,;10.49,-32.81,)|
Show InChI InChI=1S/C47H64N14O7/c1-2-3-13-34-41(64)58-35(15-8-21-53-46(49)50)42(65)60-37(24-27-17-18-28-10-4-5-11-29(28)23-27)44(67)59-36(16-9-22-54-47(51)52)43(66)61-38(25-30-26-55-32-14-7-6-12-31(30)32)45(68)57-33(40(48)63)19-20-39(62)56-34/h4-7,10-12,14,17-18,23,26,33-38,55H,2-3,8-9,13,15-16,19-22,24-25H2,1H3,(H2,48,63)(H,56,62)(H,57,68)(H,58,64)(H,59,67)(H,60,65)(H,61,66)(H4,49,50,53)(H4,51,52,54)/t33-,34-,35+,36-,37+,38-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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))
BDBM50184360
PNG
(CHEMBL204864 | c[Nle-Nle-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCCC)NC1=O)C(N)=O |wU:39.41,10.66,wD:14.14,4.3,54.58,28.30,(-.75,-16.21,;-.75,-17.75,;.34,-18.47,;.33,-19.99,;1.56,-20.69,;3.26,-20.07,;3.25,-18.52,;1.92,-17.76,;4.47,-17.75,;5,-16.46,;6.52,-16.25,;7.28,-17.59,;8.04,-18.92,;9.53,-18.51,;8.44,-20.41,;9.98,-20.41,;10.75,-21.75,;10.75,-23.29,;12.21,-23.77,;13.11,-22.53,;14.64,-22.38,;15.29,-20.98,;14.38,-19.72,;12.85,-19.88,;12.22,-21.27,;7.5,-21.62,;8.09,-23.05,;9.63,-23.04,;7.69,-24.53,;8.78,-25.62,;10.27,-25.22,;11.35,-26.31,;12.84,-25.91,;13.93,-27,;15.42,-26.61,;13.54,-28.49,;6.35,-25.3,;5.02,-24.51,;5.03,-22.97,;3.68,-25.28,;3.68,-26.82,;5.01,-27.59,;6.33,-26.83,;7.67,-27.59,;7.67,-29.14,;9,-29.91,;9,-31.45,;7.66,-32.23,;6.32,-31.45,;6.33,-29.91,;5,-29.13,;2.34,-24.51,;1.01,-25.27,;1.01,-26.81,;-.32,-24.5,;-1.65,-25.27,;-2.97,-24.5,;-4.3,-25.27,;-5.63,-24.5,;-.32,-22.97,;1.22,-22.21,;2.44,-22.97,;7.29,-14.92,;6.52,-13.58,;8.83,-14.92,)|
Show InChI InChI=1S/C47H63N11O7/c1-3-5-15-35-42(61)55-36(16-6-4-2)43(62)57-38(25-28-19-20-29-12-7-8-13-30(29)24-28)45(64)56-37(18-11-23-51-47(49)50)44(63)58-39(26-31-27-52-33-17-10-9-14-32(31)33)46(65)54-34(41(48)60)21-22-40(59)53-35/h7-10,12-14,17,19-20,24,27,34-39,52H,3-6,11,15-16,18,21-23,25-26H2,1-2H3,(H2,48,60)(H,53,59)(H,54,65)(H,55,61)(H,56,64)(H,57,62)(H,58,63)(H4,49,50,51)/t34-,35-,36-,37-,38+,39-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50184360
PNG
(CHEMBL204864 | c[Nle-Nle-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCCC)NC1=O)C(N)=O |wU:39.41,10.66,wD:14.14,4.3,54.58,28.30,(-.75,-16.21,;-.75,-17.75,;.34,-18.47,;.33,-19.99,;1.56,-20.69,;3.26,-20.07,;3.25,-18.52,;1.92,-17.76,;4.47,-17.75,;5,-16.46,;6.52,-16.25,;7.28,-17.59,;8.04,-18.92,;9.53,-18.51,;8.44,-20.41,;9.98,-20.41,;10.75,-21.75,;10.75,-23.29,;12.21,-23.77,;13.11,-22.53,;14.64,-22.38,;15.29,-20.98,;14.38,-19.72,;12.85,-19.88,;12.22,-21.27,;7.5,-21.62,;8.09,-23.05,;9.63,-23.04,;7.69,-24.53,;8.78,-25.62,;10.27,-25.22,;11.35,-26.31,;12.84,-25.91,;13.93,-27,;15.42,-26.61,;13.54,-28.49,;6.35,-25.3,;5.02,-24.51,;5.03,-22.97,;3.68,-25.28,;3.68,-26.82,;5.01,-27.59,;6.33,-26.83,;7.67,-27.59,;7.67,-29.14,;9,-29.91,;9,-31.45,;7.66,-32.23,;6.32,-31.45,;6.33,-29.91,;5,-29.13,;2.34,-24.51,;1.01,-25.27,;1.01,-26.81,;-.32,-24.5,;-1.65,-25.27,;-2.97,-24.5,;-4.3,-25.27,;-5.63,-24.5,;-.32,-22.97,;1.22,-22.21,;2.44,-22.97,;7.29,-14.92,;6.52,-13.58,;8.83,-14.92,)|
Show InChI InChI=1S/C47H63N11O7/c1-3-5-15-35-42(61)55-36(16-6-4-2)43(62)57-38(25-28-19-20-29-12-7-8-13-30(29)24-28)45(64)56-37(18-11-23-51-47(49)50)44(63)58-39(26-31-27-52-33-17-10-9-14-32(31)33)46(65)54-34(41(48)60)21-22-40(59)53-35/h7-10,12-14,17,19-20,24,27,34-39,52H,3-6,11,15-16,18,21-23,25-26H2,1-2H3,(H2,48,60)(H,53,59)(H,54,65)(H,55,61)(H,56,64)(H,57,62)(H,58,63)(H4,49,50,51)/t34-,35-,36-,37-,38+,39-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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 7.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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 5 (MC5R)


(Homo sapiens (Human))
BDBM50184366
PNG
(CHEMBL203760 | c[Nle-Pro-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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]2CCCN2C1=O)C(N)=O |wU:10.66,39.41,wD:28.30,54.62,14.14,4.3,(-2.1,4.1,;-2.1,2.56,;-1.01,1.84,;-1.02,.32,;.21,-.38,;1.91,.24,;1.91,1.78,;.57,2.54,;3.12,2.56,;3.64,3.84,;5.16,4.05,;5.93,2.72,;6.69,1.39,;8.17,1.8,;7.09,-.09,;8.63,-.09,;9.4,-1.43,;9.39,-2.97,;10.85,-3.46,;11.76,-2.22,;13.28,-2.07,;13.92,-.67,;13.02,.59,;11.49,.43,;10.86,-.96,;6.15,-1.31,;6.74,-2.74,;8.28,-2.73,;6.33,-4.22,;7.42,-5.3,;8.91,-4.91,;10,-5.99,;11.48,-5.6,;12.57,-6.69,;14.06,-6.29,;12.17,-8.17,;4.99,-4.98,;3.66,-4.2,;3.67,-2.66,;2.33,-4.96,;2.32,-6.5,;3.65,-7.28,;4.98,-6.51,;6.31,-7.27,;6.31,-8.82,;7.64,-9.59,;7.64,-11.12,;6.3,-11.9,;4.97,-11.12,;4.98,-9.58,;3.65,-8.81,;.99,-4.19,;-.34,-4.96,;-.37,-6.5,;-1.87,-4,;-3.41,-4.17,;-4.04,-2.76,;-2.89,-1.72,;-1.56,-2.49,;-.13,-1.9,;1.09,-2.65,;5.94,5.38,;5.17,6.72,;7.48,5.38,)|
Show InChI InChI=1S/C46H59N11O7/c1-2-3-13-35-45(64)57-22-9-16-38(57)44(63)56-36(24-27-17-18-28-10-4-5-11-29(28)23-27)42(61)54-34(15-8-21-50-46(48)49)41(60)55-37(25-30-26-51-32-14-7-6-12-31(30)32)43(62)53-33(40(47)59)19-20-39(58)52-35/h4-7,10-12,14,17-18,23,26,33-38,51H,2-3,8-9,13,15-16,19-22,24-25H2,1H3,(H2,47,59)(H,52,58)(H,53,62)(H,54,61)(H,55,60)(H,56,63)(H4,48,49,50)/t33-,34-,35-,36+,37-,38-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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))
BDBM50184356
PNG
(CHEMBL425591 | c[Nle-His-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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:39.41,10.69,wD:14.14,54.58,28.30,4.3,(-1.57,-31.51,;-1.57,-33.05,;-.48,-33.77,;-.49,-35.29,;.74,-35.99,;2.44,-35.37,;2.43,-33.83,;1.1,-33.07,;3.65,-33.05,;4.17,-31.77,;5.69,-31.56,;6.46,-32.89,;7.21,-34.22,;8.7,-33.81,;7.62,-35.71,;9.15,-35.71,;9.92,-37.05,;9.92,-38.59,;11.38,-39.07,;12.28,-37.83,;13.81,-37.68,;14.45,-36.28,;13.54,-35.02,;12.02,-35.18,;11.39,-36.57,;6.68,-36.92,;7.26,-38.35,;8.8,-38.34,;6.86,-39.83,;7.95,-40.92,;9.44,-40.52,;10.52,-41.6,;12.01,-41.21,;13.1,-42.3,;14.59,-41.9,;12.7,-43.79,;5.52,-40.59,;4.2,-39.81,;4.2,-38.27,;2.86,-40.58,;2.85,-42.12,;4.19,-42.89,;5.51,-42.12,;6.84,-42.88,;6.84,-44.43,;8.17,-45.2,;8.17,-46.74,;6.83,-47.51,;5.5,-46.74,;5.5,-45.2,;4.18,-44.43,;1.52,-39.8,;.18,-40.57,;.17,-42.11,;-1.15,-39.79,;-2.48,-40.56,;-3.81,-39.79,;-3.98,-38.25,;-5.49,-37.93,;-6.27,-39.26,;-5.23,-40.41,;-1.16,-38.25,;.39,-37.51,;1.62,-38.26,;6.47,-30.22,;5.69,-28.89,;8.01,-30.23,)|
Show InChI InChI=1S/C47H59N13O7/c1-2-3-12-35-42(63)60-39(23-31-25-51-26-54-31)46(67)58-37(21-27-15-16-28-9-4-5-10-29(28)20-27)44(65)57-36(14-8-19-52-47(49)50)43(64)59-38(22-30-24-53-33-13-7-6-11-32(30)33)45(66)56-34(41(48)62)17-18-40(61)55-35/h4-7,9-11,13,15-16,20,24-26,34-39,53H,2-3,8,12,14,17-19,21-23H2,1H3,(H2,48,62)(H,51,54)(H,55,61)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,60,63)(H4,49,50,52)/t34-,35-,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
Inhibitory activity against hMC3R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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 3 (MC3R)


(Homo sapiens (Human))
BDBM50184366
PNG
(CHEMBL203760 | c[Nle-Pro-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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]2CCCN2C1=O)C(N)=O |wU:10.66,39.41,wD:28.30,54.62,14.14,4.3,(-2.1,4.1,;-2.1,2.56,;-1.01,1.84,;-1.02,.32,;.21,-.38,;1.91,.24,;1.91,1.78,;.57,2.54,;3.12,2.56,;3.64,3.84,;5.16,4.05,;5.93,2.72,;6.69,1.39,;8.17,1.8,;7.09,-.09,;8.63,-.09,;9.4,-1.43,;9.39,-2.97,;10.85,-3.46,;11.76,-2.22,;13.28,-2.07,;13.92,-.67,;13.02,.59,;11.49,.43,;10.86,-.96,;6.15,-1.31,;6.74,-2.74,;8.28,-2.73,;6.33,-4.22,;7.42,-5.3,;8.91,-4.91,;10,-5.99,;11.48,-5.6,;12.57,-6.69,;14.06,-6.29,;12.17,-8.17,;4.99,-4.98,;3.66,-4.2,;3.67,-2.66,;2.33,-4.96,;2.32,-6.5,;3.65,-7.28,;4.98,-6.51,;6.31,-7.27,;6.31,-8.82,;7.64,-9.59,;7.64,-11.12,;6.3,-11.9,;4.97,-11.12,;4.98,-9.58,;3.65,-8.81,;.99,-4.19,;-.34,-4.96,;-.37,-6.5,;-1.87,-4,;-3.41,-4.17,;-4.04,-2.76,;-2.89,-1.72,;-1.56,-2.49,;-.13,-1.9,;1.09,-2.65,;5.94,5.38,;5.17,6.72,;7.48,5.38,)|
Show InChI InChI=1S/C46H59N11O7/c1-2-3-13-35-45(64)57-22-9-16-38(57)44(63)56-36(24-27-17-18-28-10-4-5-11-29(28)23-27)42(61)54-34(15-8-21-50-46(48)49)41(60)55-37(25-30-26-51-32-14-7-6-12-31(30)32)43(62)53-33(40(47)59)19-20-39(58)52-35/h4-7,10-12,14,17-18,23,26,33-38,51H,2-3,8-9,13,15-16,19-22,24-25H2,1H3,(H2,47,59)(H,52,58)(H,53,62)(H,54,61)(H,55,60)(H,56,63)(H4,48,49,50)/t33-,34-,35-,36+,37-,38-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184360
PNG
(CHEMBL204864 | c[Nle-Nle-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCCC)NC1=O)C(N)=O |wU:39.41,10.66,wD:14.14,4.3,54.58,28.30,(-.75,-16.21,;-.75,-17.75,;.34,-18.47,;.33,-19.99,;1.56,-20.69,;3.26,-20.07,;3.25,-18.52,;1.92,-17.76,;4.47,-17.75,;5,-16.46,;6.52,-16.25,;7.28,-17.59,;8.04,-18.92,;9.53,-18.51,;8.44,-20.41,;9.98,-20.41,;10.75,-21.75,;10.75,-23.29,;12.21,-23.77,;13.11,-22.53,;14.64,-22.38,;15.29,-20.98,;14.38,-19.72,;12.85,-19.88,;12.22,-21.27,;7.5,-21.62,;8.09,-23.05,;9.63,-23.04,;7.69,-24.53,;8.78,-25.62,;10.27,-25.22,;11.35,-26.31,;12.84,-25.91,;13.93,-27,;15.42,-26.61,;13.54,-28.49,;6.35,-25.3,;5.02,-24.51,;5.03,-22.97,;3.68,-25.28,;3.68,-26.82,;5.01,-27.59,;6.33,-26.83,;7.67,-27.59,;7.67,-29.14,;9,-29.91,;9,-31.45,;7.66,-32.23,;6.32,-31.45,;6.33,-29.91,;5,-29.13,;2.34,-24.51,;1.01,-25.27,;1.01,-26.81,;-.32,-24.5,;-1.65,-25.27,;-2.97,-24.5,;-4.3,-25.27,;-5.63,-24.5,;-.32,-22.97,;1.22,-22.21,;2.44,-22.97,;7.29,-14.92,;6.52,-13.58,;8.83,-14.92,)|
Show InChI InChI=1S/C47H63N11O7/c1-3-5-15-35-42(61)55-36(16-6-4-2)43(62)57-38(25-28-19-20-29-12-7-8-13-30(29)24-28)45(64)56-37(18-11-23-51-47(49)50)44(63)58-39(26-31-27-52-33-17-10-9-14-32(31)33)46(65)54-34(41(48)60)21-22-40(59)53-35/h7-10,12-14,17,19-20,24,27,34-39,52H,3-6,11,15-16,18,21-23,25-26H2,1-2H3,(H2,48,60)(H,53,59)(H,54,65)(H,55,61)(H,56,64)(H,57,62)(H,58,63)(H4,49,50,51)/t34-,35-,36-,37-,38+,39-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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 4


(Homo sapiens (Human))
BDBM50184354
PNG
(CHEMBL383250 | c[Nle-Glu-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCC(O)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(.44,.75,;.44,-.8,;1.53,-1.51,;1.53,-3.03,;2.75,-3.74,;4.46,-3.11,;4.45,-1.56,;3.11,-.81,;5.67,-.8,;6.19,.49,;7.71,.7,;8.47,-.63,;9.24,-1.96,;10.72,-1.55,;9.64,-3.45,;11.17,-3.45,;11.95,-4.79,;11.94,-6.33,;13.41,-6.82,;14.3,-5.57,;15.83,-5.43,;16.48,-4.02,;15.57,-2.76,;14.04,-2.92,;13.42,-4.32,;8.7,-4.66,;9.28,-6.09,;10.82,-6.08,;8.88,-7.57,;9.97,-8.67,;11.46,-8.27,;12.54,-9.35,;14.03,-8.95,;15.13,-10.05,;16.62,-9.65,;14.73,-11.54,;7.54,-8.34,;6.21,-7.56,;6.22,-6.01,;4.87,-8.33,;4.87,-9.87,;6.2,-10.63,;7.53,-9.87,;8.86,-10.63,;8.86,-12.18,;10.2,-12.95,;10.2,-14.49,;8.86,-15.27,;7.52,-14.49,;7.52,-12.95,;6.2,-12.17,;3.53,-7.55,;2.2,-8.32,;2.2,-9.85,;.87,-7.55,;-.28,-8.35,;-1.54,-7.75,;-2.69,-8.54,;-2.69,-10.13,;-3.95,-7.94,;.87,-6.01,;2.4,-5.26,;3.63,-6.01,;8.48,2.04,;7.71,3.38,;10.02,2.04,)|
Show InChI InChI=1S/C46H59N11O9/c1-2-3-12-33-41(62)55-35(18-20-39(59)60)43(64)56-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)54-34(14-8-21-50-46(48)49)42(63)57-37(24-29-25-51-31-13-7-6-11-30(29)31)45(66)53-32(40(47)61)17-19-38(58)52-33/h4-7,9-11,13,15-16,22,25,32-37,51H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,61)(H,52,58)(H,53,66)(H,54,65)(H,55,62)(H,56,64)(H,57,63)(H,59,60)(H4,48,49,50)/t32-,33-,34-,35-,36+,37-/m0/s1
KEGG

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n/an/a 34n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50184354
PNG
(CHEMBL383250 | c[Nle-Glu-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCC(O)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(.44,.75,;.44,-.8,;1.53,-1.51,;1.53,-3.03,;2.75,-3.74,;4.46,-3.11,;4.45,-1.56,;3.11,-.81,;5.67,-.8,;6.19,.49,;7.71,.7,;8.47,-.63,;9.24,-1.96,;10.72,-1.55,;9.64,-3.45,;11.17,-3.45,;11.95,-4.79,;11.94,-6.33,;13.41,-6.82,;14.3,-5.57,;15.83,-5.43,;16.48,-4.02,;15.57,-2.76,;14.04,-2.92,;13.42,-4.32,;8.7,-4.66,;9.28,-6.09,;10.82,-6.08,;8.88,-7.57,;9.97,-8.67,;11.46,-8.27,;12.54,-9.35,;14.03,-8.95,;15.13,-10.05,;16.62,-9.65,;14.73,-11.54,;7.54,-8.34,;6.21,-7.56,;6.22,-6.01,;4.87,-8.33,;4.87,-9.87,;6.2,-10.63,;7.53,-9.87,;8.86,-10.63,;8.86,-12.18,;10.2,-12.95,;10.2,-14.49,;8.86,-15.27,;7.52,-14.49,;7.52,-12.95,;6.2,-12.17,;3.53,-7.55,;2.2,-8.32,;2.2,-9.85,;.87,-7.55,;-.28,-8.35,;-1.54,-7.75,;-2.69,-8.54,;-2.69,-10.13,;-3.95,-7.94,;.87,-6.01,;2.4,-5.26,;3.63,-6.01,;8.48,2.04,;7.71,3.38,;10.02,2.04,)|
Show InChI InChI=1S/C46H59N11O9/c1-2-3-12-33-41(62)55-35(18-20-39(59)60)43(64)56-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)54-34(14-8-21-50-46(48)49)42(63)57-37(24-29-25-51-31-13-7-6-11-30(29)31)45(66)53-32(40(47)61)17-19-38(58)52-33/h4-7,9-11,13,15-16,22,25,32-37,51H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,61)(H,52,58)(H,53,66)(H,54,65)(H,55,62)(H,56,64)(H,57,63)(H,59,60)(H4,48,49,50)/t32-,33-,34-,35-,36+,37-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184355
PNG
(CHEMBL204310 | c[Nle-Gln-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCC(N)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(-1.67,-15.57,;-1.66,-17.11,;-.58,-17.83,;-.58,-19.35,;.64,-20.05,;2.35,-19.43,;2.34,-17.88,;1.01,-17.12,;3.56,-17.11,;4.08,-15.82,;5.6,-15.61,;6.37,-16.95,;7.13,-18.28,;8.62,-17.87,;7.53,-19.77,;9.07,-19.77,;9.84,-21.11,;9.83,-22.65,;11.3,-23.13,;12.2,-21.89,;13.73,-21.74,;14.37,-20.34,;13.47,-19.08,;11.94,-19.24,;11.31,-20.63,;6.59,-20.98,;7.18,-22.41,;8.72,-22.4,;6.77,-23.89,;7.87,-24.98,;9.35,-24.58,;10.44,-25.67,;11.93,-25.27,;13.02,-26.36,;14.51,-25.97,;12.62,-27.85,;5.43,-24.66,;4.11,-23.87,;4.12,-22.33,;2.77,-24.64,;2.76,-26.18,;4.1,-26.95,;5.42,-26.19,;6.75,-26.95,;6.76,-28.5,;8.09,-29.27,;8.09,-30.81,;6.75,-31.59,;5.41,-30.81,;5.41,-29.27,;4.09,-28.49,;1.43,-23.87,;.1,-24.63,;.1,-26.17,;-1.23,-23.86,;-2.43,-24.59,;-3.65,-23.92,;-4.85,-24.64,;-4.82,-26.03,;-6.07,-23.96,;-1.23,-22.33,;.3,-21.57,;1.53,-22.32,;6.38,-14.28,;5.61,-12.94,;7.92,-14.28,)|
Show InChI InChI=1S/C46H60N12O8/c1-2-3-12-33-41(62)56-35(17-19-38(47)59)43(64)57-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)55-34(14-8-21-51-46(49)50)42(63)58-37(24-29-25-52-31-13-7-6-11-30(29)31)45(66)54-32(40(48)61)18-20-39(60)53-33/h4-7,9-11,13,15-16,22,25,32-37,52H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,59)(H2,48,61)(H,53,60)(H,54,66)(H,55,65)(H,56,62)(H,57,64)(H,58,63)(H4,49,50,51)/t32-,33-,34-,35-,36+,37-/m0/s1
KEGG

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n/an/a 65n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50184363
PNG
(CHEMBL263822 | c[Nle-Arg-D-Phe-Arg-Trp-Glu]-NH2)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCCN=C(N)N)NC1=O)C(N)=O |wU:50.53,10.64,39.41,wD:28.30,14.14,4.3,(.93,3.85,;.93,2.3,;2.02,1.58,;2.02,.06,;3.24,-.65,;4.95,-.02,;4.94,1.52,;3.61,2.29,;6.16,2.3,;6.69,3.59,;8.21,3.8,;8.98,2.46,;9.74,1.13,;11.23,1.54,;10.14,-.37,;11.68,-.37,;12.46,-1.7,;12.45,-3.25,;13.91,-3.73,;14.82,-2.49,;16.35,-2.34,;17,-.93,;16.09,.32,;14.56,.17,;13.92,-1.23,;9.2,-1.58,;9.78,-3.01,;11.33,-3,;9.38,-4.49,;10.47,-5.58,;11.97,-5.19,;13.05,-6.27,;14.55,-5.88,;15.64,-6.97,;17.14,-6.57,;15.25,-8.46,;8.04,-5.26,;6.71,-4.47,;6.72,-2.93,;5.37,-5.24,;5.37,-6.79,;6.7,-7.56,;6.69,-9.11,;8.02,-9.89,;9.36,-9.11,;9.36,-7.56,;8.03,-6.8,;4.02,-4.47,;2.67,-4.89,;2.35,-6.27,;1.63,-3.92,;.28,-4.33,;-.74,-3.38,;-2.07,-3.79,;-3.05,-2.83,;-4.11,-1.89,;-5.45,-2.29,;-3.81,-.52,;1.65,-2.54,;2.9,-2.17,;4.12,-2.92,;8.99,5.14,;8.21,6.48,;10.53,5.13,)|
Show InChI InChI=1S/C43H62N14O7/c1-2-3-14-30-37(60)54-31(16-9-20-49-42(45)46)38(61)56-33(22-25-11-5-4-6-12-25)40(63)55-32(17-10-21-50-43(47)48)39(62)57-34(23-26-24-51-28-15-8-7-13-27(26)28)41(64)53-29(36(44)59)18-19-35(58)52-30/h4-8,11-13,15,24,29-34,51H,2-3,9-10,14,16-23H2,1H3,(H2,44,59)(H,52,58)(H,53,64)(H,54,60)(H,55,63)(H,56,61)(H,57,62)(H4,45,46,49)(H4,47,48,50)/t29-,30-,31+,32-,33+,34-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50184362
PNG
(CHEMBL380638 | c[Nle-Nle-D-Phe-Arg-Trp-Glu]-NH2)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCCC)NC1=O)C(N)=O |wU:39.41,10.61,wD:14.14,4.3,28.30,50.53,(-.37,-33.4,;-.37,-34.94,;.72,-35.66,;.71,-37.18,;1.94,-37.89,;3.65,-37.26,;3.64,-35.72,;2.3,-34.96,;4.86,-34.94,;5.38,-33.65,;6.9,-33.44,;7.67,-34.78,;8.43,-36.11,;9.92,-35.7,;8.83,-37.6,;10.37,-37.6,;11.15,-38.94,;11.14,-40.49,;12.6,-40.97,;13.51,-39.73,;15.04,-39.58,;15.68,-38.17,;14.77,-36.92,;13.25,-37.07,;12.62,-38.47,;7.89,-38.82,;8.48,-40.25,;10.02,-40.24,;8.07,-41.73,;9.17,-42.82,;10.66,-42.42,;11.74,-43.51,;13.24,-43.11,;14.33,-44.21,;15.82,-43.81,;13.93,-45.7,;6.73,-42.5,;5.41,-41.71,;5.42,-40.17,;4.06,-42.48,;4.06,-44.02,;5.4,-44.79,;5.39,-46.34,;6.72,-47.11,;8.06,-46.34,;8.06,-44.79,;6.72,-44.03,;2.72,-41.7,;1.39,-42.47,;1.39,-44.01,;.06,-41.7,;-1.27,-42.47,;-2.6,-41.7,;-3.93,-42.47,;-5.26,-41.7,;.06,-40.17,;1.6,-39.41,;2.82,-40.16,;7.68,-32.11,;6.91,-30.77,;9.22,-32.11,)|
Show InChI InChI=1S/C43H61N11O7/c1-3-5-16-31-38(57)51-32(17-6-4-2)39(58)53-34(23-26-13-8-7-9-14-26)41(60)52-33(19-12-22-47-43(45)46)40(59)54-35(24-27-25-48-29-18-11-10-15-28(27)29)42(61)50-30(37(44)56)20-21-36(55)49-31/h7-11,13-15,18,25,30-35,48H,3-6,12,16-17,19-24H2,1-2H3,(H2,44,56)(H,49,55)(H,50,61)(H,51,57)(H,52,60)(H,53,58)(H,54,59)(H4,45,46,47)/t30-,31-,32-,33-,34+,35-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184365
PNG
(CHEMBL204263 | c[Nle-Arg-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCCN=C(N)N)NC1=O)C(N)=O |wU:54.58,10.69,39.41,wD:28.30,14.14,4.3,(.89,-34.09,;.89,-35.64,;1.98,-36.36,;1.98,-37.88,;3.2,-38.59,;4.91,-37.96,;4.91,-36.42,;3.57,-35.65,;6.12,-35.64,;6.65,-34.35,;8.17,-34.14,;8.94,-35.48,;9.7,-36.82,;11.19,-36.4,;10.1,-38.31,;11.64,-38.31,;12.42,-39.65,;12.41,-41.19,;13.87,-41.67,;14.78,-40.43,;16.32,-40.28,;16.96,-38.88,;16.05,-37.62,;14.52,-37.77,;13.89,-39.17,;9.16,-39.52,;9.74,-40.95,;11.3,-40.95,;9.34,-42.43,;10.44,-43.53,;11.93,-43.13,;13.02,-44.22,;14.51,-43.82,;15.61,-44.91,;17.1,-44.52,;15.21,-46.41,;8,-43.21,;6.67,-42.41,;6.68,-40.87,;5.33,-43.18,;5.33,-44.73,;6.66,-45.51,;7.99,-44.74,;9.32,-45.5,;9.32,-47.05,;10.66,-47.82,;10.66,-49.36,;9.32,-50.14,;7.98,-49.36,;7.98,-47.82,;6.66,-47.05,;3.99,-42.41,;2.63,-42.83,;2.32,-44.21,;1.59,-41.86,;.25,-42.27,;-.78,-41.32,;-2.11,-41.73,;-3.09,-40.77,;-4.15,-39.83,;-5.49,-40.24,;-3.84,-38.46,;1.62,-40.48,;2.86,-40.11,;4.08,-40.86,;8.95,-32.8,;8.17,-31.46,;10.49,-32.81,)|
Show InChI InChI=1S/C47H64N14O7/c1-2-3-13-34-41(64)58-35(15-8-21-53-46(49)50)42(65)60-37(24-27-17-18-28-10-4-5-11-29(28)23-27)44(67)59-36(16-9-22-54-47(51)52)43(66)61-38(25-30-26-55-32-14-7-6-12-31(30)32)45(68)57-33(40(48)63)19-20-39(62)56-34/h4-7,10-12,14,17-18,23,26,33-38,55H,2-3,8-9,13,15-16,19-22,24-25H2,1H3,(H2,48,63)(H,56,62)(H,57,68)(H,58,64)(H,59,67)(H,60,65)(H,61,66)(H4,49,50,53)(H4,51,52,54)/t33-,34-,35+,36-,37+,38-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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 4


(Homo sapiens (Human))
BDBM50184356
PNG
(CHEMBL425591 | c[Nle-His-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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:39.41,10.69,wD:14.14,54.58,28.30,4.3,(-1.57,-31.51,;-1.57,-33.05,;-.48,-33.77,;-.49,-35.29,;.74,-35.99,;2.44,-35.37,;2.43,-33.83,;1.1,-33.07,;3.65,-33.05,;4.17,-31.77,;5.69,-31.56,;6.46,-32.89,;7.21,-34.22,;8.7,-33.81,;7.62,-35.71,;9.15,-35.71,;9.92,-37.05,;9.92,-38.59,;11.38,-39.07,;12.28,-37.83,;13.81,-37.68,;14.45,-36.28,;13.54,-35.02,;12.02,-35.18,;11.39,-36.57,;6.68,-36.92,;7.26,-38.35,;8.8,-38.34,;6.86,-39.83,;7.95,-40.92,;9.44,-40.52,;10.52,-41.6,;12.01,-41.21,;13.1,-42.3,;14.59,-41.9,;12.7,-43.79,;5.52,-40.59,;4.2,-39.81,;4.2,-38.27,;2.86,-40.58,;2.85,-42.12,;4.19,-42.89,;5.51,-42.12,;6.84,-42.88,;6.84,-44.43,;8.17,-45.2,;8.17,-46.74,;6.83,-47.51,;5.5,-46.74,;5.5,-45.2,;4.18,-44.43,;1.52,-39.8,;.18,-40.57,;.17,-42.11,;-1.15,-39.79,;-2.48,-40.56,;-3.81,-39.79,;-3.98,-38.25,;-5.49,-37.93,;-6.27,-39.26,;-5.23,-40.41,;-1.16,-38.25,;.39,-37.51,;1.62,-38.26,;6.47,-30.22,;5.69,-28.89,;8.01,-30.23,)|
Show InChI InChI=1S/C47H59N13O7/c1-2-3-12-35-42(63)60-39(23-31-25-51-26-54-31)46(67)58-37(21-27-15-16-28-9-4-5-10-29(28)20-27)44(65)57-36(14-8-19-52-47(49)50)43(64)59-38(22-30-24-53-33-13-7-6-11-32(30)33)45(66)56-34(41(48)62)17-18-40(61)55-35/h4-7,9-11,13,15-16,20,24-26,34-39,53H,2-3,8,12,14,17-19,21-23H2,1H3,(H2,48,62)(H,51,54)(H,55,61)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,60,63)(H4,49,50,52)/t34-,35-,36-,37+,38-,39-/m0/s1
KEGG

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n/an/a 100n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50184353
PNG
(CHEMBL446185 | c[Nle-His-D-Phe-Arg-Trp-Glu]-NH2)
Show SMILES CCCC[C@@H]1NC(=O)CC[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 |wU:39.41,10.64,wD:14.14,50.53,28.30,4.3,(-.32,4.4,;-.32,2.86,;.76,2.14,;.76,.63,;1.98,-.07,;3.68,.55,;3.68,2.09,;2.35,2.85,;4.9,2.86,;5.42,4.15,;6.93,4.36,;7.7,3.02,;8.46,1.7,;9.95,2.11,;8.86,.21,;10.39,.21,;11.17,-1.13,;11.16,-2.67,;12.63,-3.15,;13.52,-1.91,;15.06,-1.76,;15.7,-.36,;14.79,.9,;13.27,.74,;12.64,-.65,;7.92,-1,;8.51,-2.43,;10.04,-2.42,;8.1,-3.91,;9.2,-5,;10.69,-4.6,;11.77,-5.68,;13.25,-5.29,;14.34,-6.38,;15.83,-5.98,;13.95,-7.86,;6.76,-4.68,;5.44,-3.89,;5.45,-2.36,;4.11,-4.66,;4.1,-6.2,;5.43,-6.97,;5.42,-8.51,;6.75,-9.28,;8.09,-8.51,;8.08,-6.96,;6.75,-6.2,;2.77,-3.89,;1.43,-4.65,;1.41,-6.19,;.09,-3.87,;-1.23,-4.64,;-2.57,-3.87,;-2.73,-2.33,;-4.24,-2.01,;-5.02,-3.35,;-3.98,-4.5,;.09,-2.33,;1.64,-1.59,;2.86,-2.34,;7.71,5.69,;6.94,7.03,;9.25,5.69,)|
Show InChI InChI=1S/C43H57N13O7/c1-2-3-13-31-38(59)56-35(21-27-23-47-24-50-27)42(63)54-33(19-25-10-5-4-6-11-25)40(61)53-32(15-9-18-48-43(45)46)39(60)55-34(20-26-22-49-29-14-8-7-12-28(26)29)41(62)52-30(37(44)58)16-17-36(57)51-31/h4-8,10-12,14,22-24,30-35,49H,2-3,9,13,15-21H2,1H3,(H2,44,58)(H,47,50)(H,51,57)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,59)(H4,45,46,48)/t30-,31-,32-,33+,34-,35-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50184352
PNG
(CHEMBL427205 | c[Nle-Val-D-Phe-Arg-Trp-Glu]-NH2)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](NC1=O)C(C)C)C(N)=O |wU:10.60,39.41,wD:50.57,28.30,14.14,4.3,(-1.88,-14.31,;-1.88,-15.85,;-.79,-16.58,;-.79,-18.09,;.43,-18.79,;2.13,-18.17,;2.13,-16.63,;.79,-15.87,;3.34,-15.85,;3.87,-14.57,;5.39,-14.36,;6.16,-15.69,;6.91,-17.02,;8.4,-16.61,;7.31,-18.51,;8.85,-18.51,;9.62,-19.85,;9.62,-21.39,;11.08,-21.87,;11.99,-20.64,;13.52,-20.48,;14.16,-19.09,;13.25,-17.83,;11.72,-17.98,;11.09,-19.38,;6.38,-19.73,;6.96,-21.15,;8.5,-21.14,;6.56,-22.63,;7.65,-23.73,;9.14,-23.32,;10.22,-24.41,;11.71,-24.02,;12.8,-25.1,;14.29,-24.71,;12.41,-26.59,;5.22,-23.39,;3.89,-22.62,;3.9,-21.08,;2.55,-23.38,;2.55,-24.92,;3.88,-25.69,;3.88,-27.23,;5.2,-28.01,;6.54,-27.24,;6.54,-25.69,;5.21,-24.92,;1.21,-22.61,;-.93,-22.79,;-.93,-24.3,;-2.04,-21.51,;-1.31,-20.3,;.09,-20.32,;1.32,-21.07,;-3.44,-21.49,;-4.12,-20.27,;-4.15,-22.69,;6.17,-13.03,;5.39,-11.69,;7.71,-13.03,)|
Show InChI InChI=1S/C42H59N11O7/c1-4-5-15-30-38(57)53-35(24(2)3)41(60)52-32(21-25-12-7-6-8-13-25)39(58)50-31(17-11-20-46-42(44)45)37(56)51-33(22-26-23-47-28-16-10-9-14-27(26)28)40(59)49-29(36(43)55)18-19-34(54)48-30/h6-10,12-14,16,23-24,29-33,35,47H,4-5,11,15,17-22H2,1-3H3,(H2,43,55)(H,48,54)(H,49,59)(H,50,58)(H,51,56)(H,52,60)(H,53,57)(H4,44,45,46)/t29-,30-,31-,32+,33-,35-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC5R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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 3 (MC3R)


(Homo sapiens (Human))
BDBM50184354
PNG
(CHEMBL383250 | c[Nle-Glu-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCC(O)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(.44,.75,;.44,-.8,;1.53,-1.51,;1.53,-3.03,;2.75,-3.74,;4.46,-3.11,;4.45,-1.56,;3.11,-.81,;5.67,-.8,;6.19,.49,;7.71,.7,;8.47,-.63,;9.24,-1.96,;10.72,-1.55,;9.64,-3.45,;11.17,-3.45,;11.95,-4.79,;11.94,-6.33,;13.41,-6.82,;14.3,-5.57,;15.83,-5.43,;16.48,-4.02,;15.57,-2.76,;14.04,-2.92,;13.42,-4.32,;8.7,-4.66,;9.28,-6.09,;10.82,-6.08,;8.88,-7.57,;9.97,-8.67,;11.46,-8.27,;12.54,-9.35,;14.03,-8.95,;15.13,-10.05,;16.62,-9.65,;14.73,-11.54,;7.54,-8.34,;6.21,-7.56,;6.22,-6.01,;4.87,-8.33,;4.87,-9.87,;6.2,-10.63,;7.53,-9.87,;8.86,-10.63,;8.86,-12.18,;10.2,-12.95,;10.2,-14.49,;8.86,-15.27,;7.52,-14.49,;7.52,-12.95,;6.2,-12.17,;3.53,-7.55,;2.2,-8.32,;2.2,-9.85,;.87,-7.55,;-.28,-8.35,;-1.54,-7.75,;-2.69,-8.54,;-2.69,-10.13,;-3.95,-7.94,;.87,-6.01,;2.4,-5.26,;3.63,-6.01,;8.48,2.04,;7.71,3.38,;10.02,2.04,)|
Show InChI InChI=1S/C46H59N11O9/c1-2-3-12-33-41(62)55-35(18-20-39(59)60)43(64)56-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)54-34(14-8-21-50-46(48)49)42(63)57-37(24-29-25-51-31-13-7-6-11-30(29)31)45(66)53-32(40(47)61)17-19-38(58)52-33/h4-7,9-11,13,15-16,22,25,32-37,51H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,61)(H,52,58)(H,53,66)(H,54,65)(H,55,62)(H,56,64)(H,57,63)(H,59,60)(H4,48,49,50)/t32-,33-,34-,35-,36+,37-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50184363
PNG
(CHEMBL263822 | c[Nle-Arg-D-Phe-Arg-Trp-Glu]-NH2)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CCCN=C(N)N)NC1=O)C(N)=O |wU:50.53,10.64,39.41,wD:28.30,14.14,4.3,(.93,3.85,;.93,2.3,;2.02,1.58,;2.02,.06,;3.24,-.65,;4.95,-.02,;4.94,1.52,;3.61,2.29,;6.16,2.3,;6.69,3.59,;8.21,3.8,;8.98,2.46,;9.74,1.13,;11.23,1.54,;10.14,-.37,;11.68,-.37,;12.46,-1.7,;12.45,-3.25,;13.91,-3.73,;14.82,-2.49,;16.35,-2.34,;17,-.93,;16.09,.32,;14.56,.17,;13.92,-1.23,;9.2,-1.58,;9.78,-3.01,;11.33,-3,;9.38,-4.49,;10.47,-5.58,;11.97,-5.19,;13.05,-6.27,;14.55,-5.88,;15.64,-6.97,;17.14,-6.57,;15.25,-8.46,;8.04,-5.26,;6.71,-4.47,;6.72,-2.93,;5.37,-5.24,;5.37,-6.79,;6.7,-7.56,;6.69,-9.11,;8.02,-9.89,;9.36,-9.11,;9.36,-7.56,;8.03,-6.8,;4.02,-4.47,;2.67,-4.89,;2.35,-6.27,;1.63,-3.92,;.28,-4.33,;-.74,-3.38,;-2.07,-3.79,;-3.05,-2.83,;-4.11,-1.89,;-5.45,-2.29,;-3.81,-.52,;1.65,-2.54,;2.9,-2.17,;4.12,-2.92,;8.99,5.14,;8.21,6.48,;10.53,5.13,)|
Show InChI InChI=1S/C43H62N14O7/c1-2-3-14-30-37(60)54-31(16-9-20-49-42(45)46)38(61)56-33(22-25-11-5-4-6-12-25)40(63)55-32(17-10-21-50-43(47)48)39(62)57-34(23-26-24-51-28-15-8-7-13-27(26)28)41(64)53-29(36(44)59)18-19-35(58)52-30/h4-8,11-13,15,24,29-34,51H,2-3,9-10,14,16-23H2,1H3,(H2,44,59)(H,52,58)(H,53,64)(H,54,60)(H,55,63)(H,56,61)(H,57,62)(H4,45,46,49)(H4,47,48,50)/t29-,30-,31+,32-,33+,34-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC3R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184358
PNG
(CHEMBL203170 | c[Nle-Asp-D-Phe-Arg-Trp-Glu]-NH2)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CC(O)=O)NC1=O)C(N)=O |wU:10.61,39.41,wD:28.30,50.53,14.14,4.3,(-1.81,3.94,;-1.8,2.4,;-.71,1.68,;-.72,.16,;.5,-.54,;2.21,.09,;2.2,1.63,;.87,2.39,;3.42,2.4,;3.94,3.69,;5.46,3.9,;6.23,2.56,;6.99,1.23,;8.48,1.64,;7.39,-.26,;8.93,-.26,;9.7,-1.6,;9.69,-3.14,;11.16,-3.62,;12.06,-2.38,;13.59,-2.23,;14.23,-.83,;13.33,.43,;11.8,.27,;11.17,-1.12,;6.45,-1.47,;7.04,-2.9,;8.58,-2.89,;6.63,-4.38,;7.72,-5.47,;9.21,-5.07,;10.3,-6.16,;11.79,-5.76,;12.88,-6.85,;14.37,-6.46,;12.48,-8.34,;5.29,-5.14,;3.97,-4.36,;3.98,-2.82,;2.63,-5.13,;2.62,-6.67,;3.96,-7.44,;3.95,-8.98,;5.28,-9.76,;6.62,-8.99,;6.61,-7.44,;5.28,-6.68,;1.29,-4.35,;-.04,-5.12,;-.04,-6.65,;-1.37,-4.35,;-2.56,-5.1,;-3.79,-4.45,;-3.84,-3.05,;-4.97,-5.19,;-1.37,-2.82,;.16,-2.06,;1.39,-2.81,;6.24,5.23,;5.47,6.57,;7.78,5.23,)|
Show InChI InChI=1S/C41H55N11O9/c1-2-3-13-28-36(57)52-32(21-34(54)55)40(61)50-30(19-23-10-5-4-6-11-23)38(59)49-29(15-9-18-45-41(43)44)37(58)51-31(20-24-22-46-26-14-8-7-12-25(24)26)39(60)48-27(35(42)56)16-17-33(53)47-28/h4-8,10-12,14,22,27-32,46H,2-3,9,13,15-21H2,1H3,(H2,42,56)(H,47,53)(H,48,60)(H,49,59)(H,50,61)(H,51,58)(H,52,57)(H,54,55)(H4,43,44,45)/t27-,28-,29-,30+,31-,32-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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
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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 4


(Homo sapiens (Human))
BDBM50184353
PNG
(CHEMBL446185 | c[Nle-His-D-Phe-Arg-Trp-Glu]-NH2)
Show SMILES CCCC[C@@H]1NC(=O)CC[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 |wU:39.41,10.64,wD:14.14,50.53,28.30,4.3,(-.32,4.4,;-.32,2.86,;.76,2.14,;.76,.63,;1.98,-.07,;3.68,.55,;3.68,2.09,;2.35,2.85,;4.9,2.86,;5.42,4.15,;6.93,4.36,;7.7,3.02,;8.46,1.7,;9.95,2.11,;8.86,.21,;10.39,.21,;11.17,-1.13,;11.16,-2.67,;12.63,-3.15,;13.52,-1.91,;15.06,-1.76,;15.7,-.36,;14.79,.9,;13.27,.74,;12.64,-.65,;7.92,-1,;8.51,-2.43,;10.04,-2.42,;8.1,-3.91,;9.2,-5,;10.69,-4.6,;11.77,-5.68,;13.25,-5.29,;14.34,-6.38,;15.83,-5.98,;13.95,-7.86,;6.76,-4.68,;5.44,-3.89,;5.45,-2.36,;4.11,-4.66,;4.1,-6.2,;5.43,-6.97,;5.42,-8.51,;6.75,-9.28,;8.09,-8.51,;8.08,-6.96,;6.75,-6.2,;2.77,-3.89,;1.43,-4.65,;1.41,-6.19,;.09,-3.87,;-1.23,-4.64,;-2.57,-3.87,;-2.73,-2.33,;-4.24,-2.01,;-5.02,-3.35,;-3.98,-4.5,;.09,-2.33,;1.64,-1.59,;2.86,-2.34,;7.71,5.69,;6.94,7.03,;9.25,5.69,)|
Show InChI InChI=1S/C43H57N13O7/c1-2-3-13-31-38(59)56-35(21-27-23-47-24-50-27)42(63)54-33(19-25-10-5-4-6-11-25)40(61)53-32(15-9-18-48-43(45)46)39(60)55-34(20-26-22-49-29-14-8-7-12-28(26)29)41(62)52-30(37(44)58)16-17-36(57)51-31/h4-8,10-12,14,22-24,30-35,49H,2-3,9,13,15-21H2,1H3,(H2,44,58)(H,47,50)(H,51,57)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,59)(H4,45,46,48)/t30-,31-,32-,33+,34-,35-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184350
PNG
(CHEMBL409144 | c[Nle-Asp-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](CC(O)=O)NC1=O)C(N)=O |wU:54.58,39.41,10.66,wD:28.30,14.14,4.3,(-1.99,-36.06,;-1.99,-37.6,;-.9,-38.32,;-.91,-39.84,;.32,-40.55,;2.02,-39.92,;2.01,-38.38,;.68,-37.62,;3.23,-37.6,;3.76,-36.32,;5.28,-36.11,;6.04,-37.44,;6.8,-38.77,;8.29,-38.36,;7.2,-40.26,;8.74,-40.26,;9.51,-41.6,;9.51,-43.14,;10.97,-43.62,;11.87,-42.38,;13.4,-42.23,;14.04,-40.83,;13.14,-39.58,;11.61,-39.73,;10.98,-41.13,;6.26,-41.48,;6.85,-42.9,;8.39,-42.89,;6.45,-44.38,;7.54,-45.47,;9.03,-45.08,;10.11,-46.16,;11.6,-45.76,;12.69,-46.86,;14.18,-46.46,;12.3,-48.35,;5.1,-45.15,;3.78,-44.37,;3.79,-42.82,;2.44,-45.13,;2.44,-46.67,;3.77,-47.44,;5.09,-46.68,;6.43,-47.44,;6.43,-48.99,;7.76,-49.76,;7.76,-51.3,;6.42,-52.08,;5.08,-51.3,;5.09,-49.76,;3.76,-48.98,;1.1,-44.36,;-.23,-45.12,;-.23,-46.66,;-1.55,-44.35,;-2.74,-45.1,;-3.98,-44.45,;-4.03,-43.06,;-5.16,-45.19,;-1.56,-42.82,;-.02,-42.07,;1.2,-42.82,;6.05,-34.77,;5.28,-33.44,;7.59,-34.78,)|
Show InChI InChI=1S/C45H57N11O9/c1-2-3-12-32-40(61)56-36(23-38(58)59)44(65)54-34(21-25-15-16-26-9-4-5-10-27(26)20-25)42(63)53-33(14-8-19-49-45(47)48)41(62)55-35(22-28-24-50-30-13-7-6-11-29(28)30)43(64)52-31(39(46)60)17-18-37(57)51-32/h4-7,9-11,13,15-16,20,24,31-36,50H,2-3,8,12,14,17-19,21-23H2,1H3,(H2,46,60)(H,51,57)(H,52,64)(H,53,63)(H,54,65)(H,55,62)(H,56,61)(H,58,59)(H4,47,48,49)/t31-,32-,33-,34+,35-,36+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50184361
PNG
(CHEMBL413573 | c[Nle-Val-D-Nal(2')-Arg-Trp-Glu]-NH...)
Show SMILES CCCC[C@@H]1NC(=O)CC[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](NC1=O)C(C)C)C(N)=O |wU:10.65,39.41,wD:28.30,14.14,4.3,54.62,(-1.6,3.95,;-1.59,2.41,;-.5,1.69,;-.51,.17,;.72,-.53,;2.42,.09,;2.41,1.63,;1.08,2.4,;3.63,2.41,;4.15,3.69,;5.67,3.91,;6.44,2.57,;7.2,1.24,;8.68,1.65,;7.6,-.25,;9.13,-.25,;9.91,-1.59,;9.9,-3.13,;11.37,-3.61,;12.27,-2.37,;13.8,-2.22,;14.44,-.82,;13.53,.43,;12,.28,;11.38,-1.12,;6.66,-1.46,;7.24,-2.89,;8.78,-2.88,;6.84,-4.37,;7.94,-5.46,;9.43,-5.06,;10.51,-6.15,;11.99,-5.75,;13.09,-6.84,;14.58,-6.44,;12.69,-8.33,;5.5,-5.13,;4.18,-4.35,;4.19,-2.81,;2.84,-5.12,;2.83,-6.66,;4.17,-7.43,;5.49,-6.66,;6.82,-7.43,;6.83,-8.98,;8.15,-9.75,;8.15,-11.29,;6.81,-12.06,;5.48,-11.28,;5.48,-9.74,;4.16,-8.97,;1.49,-4.35,;-.64,-4.52,;-.64,-6.03,;-1.75,-3.24,;-1.03,-2.04,;.38,-2.05,;1.6,-2.81,;-3.15,-3.23,;-3.83,-2.01,;-3.86,-4.43,;6.45,5.23,;5.68,6.57,;7.99,5.23,)|
Show InChI InChI=1S/C46H61N11O7/c1-4-5-14-34-42(61)57-39(26(2)3)45(64)56-36(23-27-17-18-28-11-6-7-12-29(28)22-27)43(62)54-35(16-10-21-50-46(48)49)41(60)55-37(24-30-25-51-32-15-9-8-13-31(30)32)44(63)53-33(40(47)59)19-20-38(58)52-34/h6-9,11-13,15,17-18,22,25-26,33-37,39,51H,4-5,10,14,16,19-21,23-24H2,1-3H3,(H2,47,59)(H,52,58)(H,53,63)(H,54,62)(H,55,60)(H,56,64)(H,57,61)(H4,48,49,50)/t33-,34-,35-,36+,37-,39-/m0/s1
KEGG

UniProtKB/SwissProt

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n/an/a 180n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC4R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)


Article DOI: 10.1021/jm0510326
BindingDB Entry DOI: 10.7270/Q2C24W1F
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
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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