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Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'chandler' and Initial = 'kb'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50205745
PNG
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)
Show SMILES CCCC[C@H](N)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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)|
Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1
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PubMed
n/an/a 0.200n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2492-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9
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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PubMed
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))
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 1.10n/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 4


(Homo sapiens (Human))
BDBM50205745
PNG
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)
Show SMILES CCCC[C@H](N)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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)|
Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1
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PubMed
n/an/a 1.10n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2492-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50205745
PNG
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)
Show SMILES CCCC[C@H](N)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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)|
Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2492-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(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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PubMed
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 3


(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 5


(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


(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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PubMed
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 5


(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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PubMed
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


(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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PubMed
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


(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


(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 5


(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


(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


(Homo sapiens (Human))
BDBM50205745
PNG
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)
Show SMILES CCCC[C@H](N)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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)|
Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human MC5R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2492-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(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


(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


(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


(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 3


(Homo sapiens (Human))
BDBM50205746
PNG
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)
Show SMILES CCCC[C@H](N)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](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)|
Show InChI InChI=1S/C52H68ClN13O8/c1-2-3-14-36(54)46(69)63-41-27-44(67)58-22-9-8-16-38(45(55)68)61-48(71)40(26-33-28-60-37-15-7-6-13-35(33)37)64-47(70)39(17-10-23-59-52(56)57)62-50(73)43(24-30-18-20-34(53)21-19-30)66-29-32-12-5-4-11-31(32)25-42(51(66)74)65-49(41)72/h4-7,11-13,15,18-21,28,36,38-43,60H,2-3,8-10,14,16-17,22-27,29,54H2,1H3,(H2,55,68)(H,58,67)(H,61,71)(H,62,73)(H,63,69)(H,64,70)(H,65,72)(H4,56,57,59)/t36-,38-,39-,40-,41-,42?,43+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2492-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9
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
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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 3


(Homo sapiens (Human))
BDBM50205744
PNG
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)
Show SMILES CCCC[C@H](N)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](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)|
Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2492-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(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 3


(Homo sapiens (Human))
BDBM50205743
PNG
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-2-b...)
Show SMILES CCCC[C@H](N)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)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)|
Show InChI InChI=1S/C52H69N13O8/c1-2-3-19-36(53)46(68)62-41-28-44(66)57-23-12-11-21-38(45(54)67)60-48(70)40(27-34-29-59-37-20-10-9-18-35(34)37)63-47(69)39(22-13-24-58-52(55)56)61-50(72)43(25-31-14-5-4-6-15-31)65-30-33-17-8-7-16-32(33)26-42(51(65)73)64-49(41)71/h4-10,14-18,20,29,36,38-43,59H,2-3,11-13,19,21-28,30,53H2,1H3,(H2,54,67)(H,57,66)(H,60,70)(H,61,72)(H,62,68)(H,63,69)(H,64,71)(H4,55,56,58)/t36-,38-,39-,40-,41-,42?,43+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2492-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9
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
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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


(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


(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 5


(Homo sapiens (Human))
BDBM50205744
PNG
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)
Show SMILES CCCC[C@H](N)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](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)|
Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1
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n/an/a 87n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human MC5R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2492-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(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 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
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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


(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


(Homo sapiens (Human))
BDBM50205746
PNG
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)
Show SMILES CCCC[C@H](N)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](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)|
Show InChI InChI=1S/C52H68ClN13O8/c1-2-3-14-36(54)46(69)63-41-27-44(67)58-22-9-8-16-38(45(55)68)61-48(71)40(26-33-28-60-37-15-7-6-13-35(33)37)64-47(70)39(17-10-23-59-52(56)57)62-50(73)43(24-30-18-20-34(53)21-19-30)66-29-32-12-5-4-11-31(32)25-42(51(66)74)65-49(41)72/h4-7,11-13,15,18-21,28,36,38-43,60H,2-3,8-10,14,16-17,22-27,29,54H2,1H3,(H2,55,68)(H,58,67)(H,61,71)(H,62,73)(H,63,69)(H,64,70)(H,65,72)(H4,56,57,59)/t36-,38-,39-,40-,41-,42?,43+/m0/s1
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n/an/a 123n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human MC5R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2492-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(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


(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))
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
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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


(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 220n/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


(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 250n/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


(Homo sapiens (Human))
BDBM50184364
PNG
(CHEMBL203602 | c[Nle-Gln-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](CCC(N)=O)NC1=O)C(N)=O |wU:10.62,39.41,50.53,wD:28.30,14.14,4.3,(-1.72,-33.99,;-1.72,-35.53,;-.63,-36.25,;-.64,-37.77,;.59,-38.48,;2.29,-37.85,;2.29,-36.31,;.95,-35.55,;3.5,-35.53,;4.03,-34.25,;5.55,-34.04,;6.32,-35.37,;7.08,-36.7,;8.57,-36.29,;7.48,-38.19,;9.02,-38.19,;9.79,-39.53,;9.78,-41.08,;11.25,-41.56,;12.15,-40.32,;13.68,-40.17,;14.32,-38.76,;13.42,-37.51,;11.89,-37.66,;11.26,-39.06,;6.54,-39.41,;7.12,-40.84,;8.67,-40.83,;6.72,-42.32,;7.81,-43.41,;9.3,-43.01,;10.39,-44.1,;11.88,-43.7,;12.97,-44.79,;14.46,-44.4,;12.58,-46.28,;5.38,-43.08,;4.05,-42.3,;4.06,-40.76,;2.71,-43.07,;2.71,-44.61,;4.05,-45.38,;4.04,-46.92,;5.36,-47.7,;6.7,-46.93,;6.7,-45.38,;5.37,-44.61,;1.37,-42.29,;.04,-43.06,;.04,-44.59,;-1.29,-42.29,;-2.49,-43.02,;-3.71,-42.34,;-4.91,-43.06,;-4.88,-44.46,;-6.13,-42.39,;-1.29,-40.76,;.25,-40,;1.47,-40.75,;6.33,-32.7,;5.55,-31.36,;7.87,-32.7,)|
Show InChI InChI=1S/C42H58N12O8/c1-2-3-13-29-37(58)52-31(16-18-34(43)55)39(60)53-32(21-24-10-5-4-6-11-24)40(61)51-30(15-9-20-47-42(45)46)38(59)54-33(22-25-23-48-27-14-8-7-12-26(25)27)41(62)50-28(36(44)57)17-19-35(56)49-29/h4-8,10-12,14,23,28-33,48H,2-3,9,13,15-22H2,1H3,(H2,43,55)(H2,44,57)(H,49,56)(H,50,62)(H,51,61)(H,52,58)(H,53,60)(H,54,59)(H4,45,46,47)/t28-,29-,30-,31+,32+,33-/m0/s1
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n/an/a 270n/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))
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 270n/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


(Homo sapiens (Human))
BDBM50184357
PNG
(CHEMBL381739 | c[Nle-Pro-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]2CCCN2C1=O)C(N)=O |wU:10.61,50.57,39.41,wD:28.30,14.14,4.3,(-3.21,-14.67,;-3.2,-16.21,;-2.12,-16.93,;-2.12,-18.45,;-.89,-19.15,;.81,-18.53,;.8,-16.99,;-.54,-16.22,;2.01,-16.21,;2.54,-14.93,;4.06,-14.72,;4.82,-16.05,;5.58,-17.38,;7.07,-16.97,;5.98,-18.86,;7.52,-18.86,;8.29,-20.2,;8.28,-21.74,;9.75,-22.22,;10.65,-20.98,;12.18,-20.84,;12.82,-19.44,;11.91,-18.18,;10.39,-18.34,;9.76,-19.73,;5.04,-20.08,;5.63,-21.51,;7.17,-21.5,;5.23,-22.98,;6.32,-24.07,;7.8,-23.67,;8.89,-24.76,;10.38,-24.36,;11.47,-25.45,;12.96,-25.05,;11.07,-26.94,;3.89,-23.75,;2.56,-22.97,;2.57,-21.43,;1.22,-23.73,;1.22,-25.27,;2.55,-26.04,;2.54,-27.58,;3.87,-28.35,;5.21,-27.59,;5.21,-26.04,;3.88,-25.27,;-.12,-22.96,;-1.45,-23.73,;-1.48,-25.27,;-2.98,-22.77,;-4.51,-22.93,;-5.14,-21.52,;-4,-20.49,;-2.66,-21.26,;-1.24,-20.67,;-.02,-21.42,;4.83,-13.38,;4.06,-12.05,;6.37,-13.39,)|
Show InChI InChI=1S/C42H57N11O7/c1-2-3-14-31-41(60)53-21-10-17-34(53)40(59)52-32(22-25-11-5-4-6-12-25)38(57)50-30(16-9-20-46-42(44)45)37(56)51-33(23-26-24-47-28-15-8-7-13-27(26)28)39(58)49-29(36(43)55)18-19-35(54)48-31/h4-8,11-13,15,24,29-34,47H,2-3,9-10,14,16-23H2,1H3,(H2,43,55)(H,48,54)(H,49,58)(H,50,57)(H,51,56)(H,52,59)(H4,44,45,46)/t29-,30-,31-,32+,33-,34+/m0/s1
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n/an/a 400n/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


(Homo sapiens (Human))
BDBM50184364
PNG
(CHEMBL203602 | c[Nle-Gln-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](CCC(N)=O)NC1=O)C(N)=O |wU:10.62,39.41,50.53,wD:28.30,14.14,4.3,(-1.72,-33.99,;-1.72,-35.53,;-.63,-36.25,;-.64,-37.77,;.59,-38.48,;2.29,-37.85,;2.29,-36.31,;.95,-35.55,;3.5,-35.53,;4.03,-34.25,;5.55,-34.04,;6.32,-35.37,;7.08,-36.7,;8.57,-36.29,;7.48,-38.19,;9.02,-38.19,;9.79,-39.53,;9.78,-41.08,;11.25,-41.56,;12.15,-40.32,;13.68,-40.17,;14.32,-38.76,;13.42,-37.51,;11.89,-37.66,;11.26,-39.06,;6.54,-39.41,;7.12,-40.84,;8.67,-40.83,;6.72,-42.32,;7.81,-43.41,;9.3,-43.01,;10.39,-44.1,;11.88,-43.7,;12.97,-44.79,;14.46,-44.4,;12.58,-46.28,;5.38,-43.08,;4.05,-42.3,;4.06,-40.76,;2.71,-43.07,;2.71,-44.61,;4.05,-45.38,;4.04,-46.92,;5.36,-47.7,;6.7,-46.93,;6.7,-45.38,;5.37,-44.61,;1.37,-42.29,;.04,-43.06,;.04,-44.59,;-1.29,-42.29,;-2.49,-43.02,;-3.71,-42.34,;-4.91,-43.06,;-4.88,-44.46,;-6.13,-42.39,;-1.29,-40.76,;.25,-40,;1.47,-40.75,;6.33,-32.7,;5.55,-31.36,;7.87,-32.7,)|
Show InChI InChI=1S/C42H58N12O8/c1-2-3-13-29-37(58)52-31(16-18-34(43)55)39(60)53-32(21-24-10-5-4-6-11-24)40(61)51-30(15-9-20-47-42(45)46)38(59)54-33(22-25-23-48-27-14-8-7-12-26(25)27)41(62)50-28(36(44)57)17-19-35(56)49-29/h4-8,10-12,14,23,28-33,48H,2-3,9,13,15-22H2,1H3,(H2,43,55)(H2,44,57)(H,49,56)(H,50,62)(H,51,61)(H,52,58)(H,53,60)(H,54,59)(H4,45,46,47)/t28-,29-,30-,31+,32+,33-/m0/s1
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n/an/a 500n/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


(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 560n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50205744
PNG
((2R,5S,8S,11S,19S)-19-[(2S)-2-aminohexanamido]-5-(...)
Show SMILES CCCC[C@H](N)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](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)|
Show InChI InChI=1S/C56H71N13O8/c1-2-3-18-40(57)50(72)66-45-30-48(70)61-24-11-10-20-42(49(58)71)64-52(74)44(29-38-31-63-41-19-9-8-17-39(38)41)67-51(73)43(21-12-25-62-56(59)60)65-54(76)47(27-33-22-23-34-13-4-5-14-35(34)26-33)69-32-37-16-7-6-15-36(37)28-46(55(69)77)68-53(45)75/h4-9,13-17,19,22-23,26,31,40,42-47,63H,2-3,10-12,18,20-21,24-25,27-30,32,57H2,1H3,(H2,58,71)(H,61,70)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H,68,75)(H4,59,60,62)/t40-,42-,43-,44-,45-,46?,47+/m0/s1
PDB

KEGG

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n/an/a 580n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2492-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.020
BindingDB Entry DOI: 10.7270/Q2FN15W9
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(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
PDB

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n/an/a 600n/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
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