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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'olsen' and Initial = 'hb'   
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))
BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
KEGG

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0.0460n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389778
PNG
(CHEMBL2070251)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:81.82,131.141,120.124,109.113,91.145,38.41,29.35,wD:4.4,95.97,133.138,19.26,8.15,(27.51,-14.26,;28.31,-12.94,;27.56,-11.59,;28.36,-10.27,;27.6,-8.92,;26.07,-8.9,;25.32,-7.56,;26.11,-6.23,;23.78,-7.53,;22.99,-8.85,;23.73,-10.19,;22.94,-11.51,;21.4,-11.48,;20.6,-12.8,;19.06,-12.77,;21.35,-14.15,;23.03,-6.18,;23.82,-4.86,;25.36,-4.89,;23.07,-3.52,;21.53,-3.49,;20.74,-4.81,;21.34,-6.23,;20.18,-7.24,;18.86,-6.45,;19.21,-4.95,;23.86,-2.2,;23.11,-.84,;21.58,-.82,;23.9,.47,;25.45,.44,;26.24,1.77,;27.78,1.74,;28.52,.4,;28.57,3.06,;23.16,1.82,;23.95,3.14,;25.49,3.11,;23.2,4.48,;23.99,5.81,;25.53,5.78,;21.66,4.51,;20.91,5.86,;21.7,7.18,;19.37,5.88,;18.62,7.23,;19.42,8.56,;20.96,8.53,;18.67,9.91,;19.47,11.23,;21.01,11.2,;21.75,9.85,;23.29,9.82,;24.04,8.47,;25.58,8.45,;26.37,9.76,;27.91,9.74,;28.66,8.4,;28.7,11.07,;30.24,11.03,;30.99,9.69,;32.53,9.65,;33.28,8.31,;34.82,8.29,;35.56,6.93,;37.1,6.9,;37.85,5.56,;39.39,5.53,;40.18,6.85,;39.44,8.2,;40.23,9.53,;39.48,10.87,;40.28,12.19,;39.53,13.54,;37.99,13.72,;37.71,15.22,;39.04,15.98,;40.18,14.92,;28.4,-7.61,;27.65,-6.26,;29.94,-7.63,;30.73,-6.31,;30.15,-4.88,;31.2,-3.25,;31.18,5.06,;30.09,6.14,;53.17,5.11,;53.13,-.09,;51.79,-.84,;51.76,-2.38,;50.42,-3.13,;50.4,-4.67,;49.05,-5.42,;47.73,-4.63,;47.75,-3.1,;46.39,-5.38,;46.36,-6.93,;47.68,-7.71,;49.1,-7.11,;50.12,-8.26,;49.33,-9.59,;49.78,-11.06,;48.73,-12.19,;47.23,-11.85,;46.78,-10.38,;47.82,-9.25,;45.06,-4.6,;43.72,-5.35,;43.7,-6.88,;42.39,-4.56,;42.42,-3.02,;43.76,-2.26,;43.79,-.73,;45.13,.02,;45.15,1.56,;43.83,2.35,;46.5,2.31,;41.05,-5.3,;39.73,-4.52,;39.75,-2.98,;38.39,-5.27,;38.36,-6.81,;39.68,-7.6,;41.03,-6.85,;42.35,-7.64,;42.32,-9.17,;40.99,-9.92,;39.67,-9.13,;37.07,-4.48,;35.72,-5.23,;35.69,-6.77,;34.4,-4.44,;34.5,-2.89,;32.86,-2.53,;32.18,-1,;32.01,-3.98,;33.12,-5.25,;32.26,-6.52,;32.92,-7.91,;51.72,-5.46,;53.07,-4.71,;51.7,-7,)|
Show InChI InChI=1S/C93H145N29O20/c1-2-3-29-65(83(132)114-69-37-39-78(127)101-40-23-22-31-64(81(95)130)109-87(136)71(48-59-51-105-63-30-21-20-28-62(59)63)115-84(133)67(33-25-42-104-93(98)99)111-86(135)70(47-58-26-16-15-17-27-58)117-90(139)74-50-61(124)54-122(74)91(69)140)110-82(131)66(32-24-41-103-92(96)97)112-88(137)72(49-60-52-100-57-107-60)116-85(134)68(36-38-75(94)125)113-89(138)73(55-123)108-79(128)53-106-80(129)56-142-46-45-141-44-43-102-77(126)35-19-14-12-10-8-6-4-5-7-9-11-13-18-34-76-118-120-121-119-76/h15-17,20-21,26-28,30,51-52,57,61,64-74,105,123-124H,2-14,18-19,22-25,29,31-50,53-56H2,1H3,(H2,94,125)(H2,95,130)(H,100,107)(H,101,127)(H,102,126)(H,106,129)(H,108,128)(H,109,136)(H,110,131)(H,111,135)(H,112,137)(H,113,138)(H,114,132)(H,115,133)(H,116,134)(H,117,139)(H4,96,97,103)(H4,98,99,104)(H,118,119,120,121)/t61-,64+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+/m1/s1
KEGG

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CHEMBL
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PC sid
UniChem
Article
PubMed
0.0800n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389773
PNG
(CHEMBL2070246)
Show SMILES CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:70.70,120.129,109.112,98.101,80.133,31.30,37.36,wD:46.45,56.56,62.62,84.85,122.126,(11.68,.45,;10.14,.48,;9.34,-.84,;7.8,-.82,;7.01,-2.14,;5.47,-2.11,;4.72,-.76,;3.18,-.73,;2.44,.61,;.9,.64,;.15,1.99,;-1.39,2.01,;-2.13,3.36,;-3.67,3.39,;-4.42,4.74,;-5.96,4.76,;-6.71,6.1,;-6.75,3.44,;-8.3,3.48,;-9.64,4.25,;-8.3,5.02,;-9.09,2.15,;-10.63,2.18,;-11.43,.86,;-10.67,-.49,;-9.13,-.52,;-11.48,-1.81,;-10.72,-3.16,;-9.18,-3.18,;-8.39,-1.86,;-8.43,-4.53,;-6.89,-4.56,;-6.1,-3.23,;-4.56,-3.26,;-6.15,-5.9,;-4.6,-5.92,;-6.94,-7.22,;-6.19,-8.57,;-4.65,-8.6,;-3.85,-7.27,;-2.32,-7.3,;-1.57,-8.64,;-1.52,-5.98,;-6.98,-9.88,;-8.52,-9.86,;-6.23,-11.23,;-7.02,-12.55,;-8.56,-12.53,;-9.35,-13.85,;-8.75,-15.27,;-9.91,-16.28,;-11.25,-15.49,;-10.89,-13.99,;-6.27,-13.9,;-4.73,-13.92,;-7.06,-15.22,;-6.31,-16.57,;-7.1,-17.88,;-8.65,-17.86,;-4.77,-16.6,;-3.99,-15.27,;-4.03,-17.94,;-2.49,-17.96,;-1.74,-19.31,;-2.54,-20.63,;-1.79,-21.98,;-2.58,-23.3,;-1.7,-16.64,;-2.45,-15.3,;-.15,-16.67,;.63,-15.35,;.06,-13.92,;1.1,-12.29,;1.09,-3.98,;-0,-2.9,;23.07,-3.93,;23.04,-9.13,;21.7,-9.88,;21.67,-11.42,;20.33,-12.17,;20.31,-13.71,;18.96,-14.46,;17.64,-13.67,;17.66,-12.13,;16.3,-14.42,;16.27,-15.97,;17.59,-16.75,;19,-16.14,;20.02,-17.3,;19.23,-18.62,;19.69,-20.09,;18.64,-21.23,;17.14,-20.89,;16.69,-19.41,;17.73,-18.28,;14.97,-13.63,;13.63,-14.39,;13.6,-15.92,;12.3,-13.6,;12.32,-12.05,;13.67,-11.3,;13.7,-9.76,;15.03,-9.01,;15.06,-7.48,;13.74,-6.69,;16.4,-6.72,;10.96,-14.34,;9.63,-13.56,;9.66,-12.02,;8.29,-14.3,;8.27,-15.85,;9.59,-16.64,;10.94,-15.88,;12.26,-16.67,;12.23,-18.21,;10.89,-18.96,;9.57,-18.17,;6.97,-13.51,;5.63,-14.27,;5.6,-15.8,;4.31,-13.48,;4.41,-11.92,;2.77,-11.57,;2.09,-10.04,;1.92,-13.01,;3.03,-14.28,;2.16,-15.56,;2.83,-16.95,;21.63,-14.5,;22.97,-13.75,;21.6,-16.04,)|
Show InChI InChI=1S/C87H134N22O21S/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-34-74(116)108-131(129,130)42-26-35-72(114)96-49-75(117)98-68(51-110)83(125)102-63(36-38-71(88)113)79(121)105-67(45-56-48-92-53-97-56)82(124)107-69(52-111)84(126)101-61(30-6-4-2)77(119)103-64-37-39-73(115)93-40-24-23-32-60(76(89)118)99-81(123)66(44-55-47-95-59-31-22-21-29-58(55)59)104-78(120)62(33-25-41-94-87(90)91)100-80(122)65(43-54-27-18-17-19-28-54)106-85(127)70-46-57(112)50-109(70)86(64)128/h17-19,21-22,27-29,31,47-48,53,57,60-70,95,110-112H,3-16,20,23-26,30,32-46,49-52H2,1-2H3,(H2,88,113)(H2,89,118)(H,92,97)(H,93,115)(H,96,114)(H,98,117)(H,99,123)(H,100,122)(H,101,126)(H,102,125)(H,103,119)(H,104,120)(H,105,121)(H,106,127)(H,107,124)(H,108,116)(H4,90,91,94)/t57-,60+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+/m1/s1
KEGG

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UniChem
Article
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0.110n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389771
PNG
(CHEMBL2070243)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:28.27,61.61,111.120,100.103,89.92,71.124,22.21,wD:37.36,47.47,53.53,75.76,113.117,(12.35,-13.87,;10.81,-13.85,;10.07,-12.5,;8.53,-12.47,;7.78,-11.13,;6.24,-11.1,;5.45,-12.42,;3.91,-12.39,;3.11,-13.71,;1.58,-13.68,;.83,-12.34,;-.71,-12.31,;-1.46,-10.96,;-3,-10.94,;-3.79,-12.26,;-3.04,-13.6,;-1.5,-13.63,;-3.84,-14.92,;-3.09,-16.27,;-1.55,-16.3,;-.76,-14.97,;-.8,-17.64,;.74,-17.67,;1.53,-16.35,;3.07,-16.37,;1.48,-19.01,;3.03,-19.04,;.69,-20.33,;1.44,-21.68,;2.98,-21.71,;3.78,-20.38,;5.31,-20.41,;6.06,-21.76,;6.11,-19.09,;.65,-23,;-.89,-22.97,;1.4,-24.35,;.61,-25.67,;-.93,-25.64,;-1.72,-26.96,;-1.12,-28.38,;-2.28,-29.39,;-3.6,-28.6,;-3.26,-27.1,;1.36,-27.01,;2.9,-27.04,;.57,-28.33,;1.32,-29.68,;.53,-31,;-1.02,-30.97,;2.86,-29.71,;3.64,-28.38,;3.6,-31.05,;5.14,-31.07,;5.89,-32.42,;5.09,-33.74,;5.84,-35.09,;5.05,-36.41,;5.93,-29.76,;5.18,-28.41,;7.48,-29.78,;8.26,-28.46,;7.69,-27.03,;8.73,-25.41,;8.72,-17.1,;7.63,-16.01,;30.7,-17.04,;30.67,-22.24,;29.33,-22.99,;29.3,-24.53,;27.96,-25.28,;27.94,-26.83,;26.59,-27.57,;25.27,-26.78,;25.29,-25.25,;23.93,-27.54,;23.9,-29.08,;25.22,-29.86,;26.63,-29.26,;27.65,-30.42,;26.86,-31.74,;27.32,-33.21,;26.27,-34.34,;24.77,-34,;24.32,-32.53,;25.36,-31.4,;22.6,-26.75,;21.26,-27.5,;21.23,-29.03,;19.93,-26.71,;19.95,-25.17,;21.3,-24.41,;21.33,-22.88,;22.66,-22.13,;22.69,-20.59,;21.37,-19.8,;24.03,-19.84,;18.59,-27.45,;17.26,-26.67,;17.29,-25.13,;15.92,-27.42,;15.9,-28.96,;17.22,-29.75,;18.57,-29,;19.89,-29.79,;19.86,-31.32,;18.52,-32.08,;17.2,-31.29,;14.6,-26.63,;13.26,-27.38,;13.23,-28.92,;11.94,-26.59,;12.04,-25.04,;10.4,-24.68,;9.72,-23.15,;9.55,-26.13,;10.66,-27.4,;9.79,-28.68,;10.46,-30.06,;29.26,-27.62,;30.6,-26.86,;29.23,-29.15,)|
Show InChI InChI=1S/C83H127N21O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-69(109)92-46-71(111)94-65(48-105)79(119)98-60(34-36-68(84)108)75(115)101-64(42-53-45-88-50-93-53)78(118)103-66(49-106)80(120)97-58(29-6-4-2)73(113)99-61-35-37-70(110)89-38-24-23-31-57(72(85)112)95-77(117)63(41-52-44-91-56-30-22-21-28-55(52)56)100-74(114)59(32-25-39-90-83(86)87)96-76(116)62(40-51-26-18-17-19-27-51)102-81(121)67-43-54(107)47-104(67)82(61)122/h17-19,21-22,26-28,30,44-45,50,54,57-67,91,105-107H,3-16,20,23-25,29,31-43,46-49H2,1-2H3,(H2,84,108)(H2,85,112)(H,88,93)(H,89,110)(H,92,109)(H,94,111)(H,95,117)(H,96,116)(H,97,120)(H,98,119)(H,99,113)(H,100,114)(H,101,115)(H,102,121)(H,103,118)(H4,86,87,90)/t54-,57+,58+,59+,60+,61+,62-,63+,64+,65+,66+,67+/m1/s1
KEGG

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0.120n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389780
PNG
(CHEMBL2069317)
Show SMILES CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.38,26.32,78.79,128.138,117.121,106.110,88.142,wD:16.23,8.12,4.4,92.94,130.135,(42.02,-50.97,;42.81,-49.65,;42.06,-48.29,;42.86,-46.97,;42.11,-45.63,;40.57,-45.63,;39.83,-44.24,;40.61,-42.94,;38.28,-44.24,;37.49,-45.55,;38.24,-46.9,;37.44,-48.22,;39.78,-46.9,;37.53,-42.88,;38.33,-41.56,;39.87,-41.56,;37.58,-40.22,;36.04,-40.22,;35.25,-41.51,;35.85,-42.93,;34.69,-43.95,;33.37,-43.16,;33.71,-41.66,;38.37,-38.9,;37.62,-37.55,;36.08,-37.55,;38.41,-36.23,;39.95,-36.23,;40.75,-34.96,;42.28,-34.96,;43.03,-36.31,;43.08,-33.64,;37.66,-34.88,;38.45,-33.56,;39.99,-33.56,;37.71,-32.22,;38.5,-30.9,;40.04,-30.9,;36.16,-32.22,;35.42,-30.85,;36.21,-29.53,;33.88,-30.85,;33.13,-29.47,;33.92,-28.15,;35.46,-28.15,;33.18,-26.81,;33.97,-25.49,;35.51,-25.49,;36.26,-26.86,;37.8,-26.86,;38.54,-28.24,;40.08,-28.24,;40.88,-26.97,;42.42,-26.97,;43.16,-28.32,;43.21,-25.65,;44.75,-25.65,;45.5,-27.03,;47.04,-27.03,;47.78,-28.4,;49.32,-28.4,;50.07,-29.77,;51.61,-29.77,;52.35,-31.15,;53.89,-31.15,;54.69,-29.86,;53.94,-28.51,;54.73,-27.19,;53.99,-25.84,;54.78,-24.52,;54.03,-23.17,;52.5,-22.99,;52.21,-21.48,;53.55,-20.73,;54.69,-21.79,;42.9,-44.31,;42.15,-42.96,;44.45,-44.31,;45.23,-43.02,;44.66,-41.59,;45.69,-39.96,;45.69,-31.65,;44.6,-30.56,;67.64,-31.65,;67.64,-36.79,;66.27,-37.55,;66.27,-39.08,;64.91,-39.84,;64.91,-41.38,;63.56,-42.12,;62.24,-41.33,;62.24,-39.8,;60.89,-42.09,;60.89,-43.63,;62.19,-44.41,;63.6,-43.81,;64.62,-44.97,;63.83,-46.29,;64.29,-47.76,;63.24,-48.89,;61.73,-48.55,;61.29,-47.08,;62.33,-45.95,;59.57,-41.3,;58.23,-42.05,;58.23,-43.59,;56.9,-41.26,;56.9,-39.72,;58.27,-38.97,;58.27,-37.43,;59.66,-36.68,;59.66,-35.14,;58.34,-34.35,;61,-34.39,;55.56,-42.01,;54.23,-41.23,;54.23,-39.68,;52.89,-41.97,;52.89,-43.51,;54.19,-44.3,;55.54,-43.55,;56.86,-44.34,;56.86,-45.88,;55.49,-46.63,;54.19,-45.84,;51.57,-41.18,;50.23,-41.93,;50.23,-43.47,;48.91,-41.14,;49.01,-39.59,;47.36,-39.23,;46.69,-37.7,;46.52,-40.68,;47.63,-41.95,;46.76,-43.23,;47.42,-44.61,;66.23,-42.17,;67.57,-41.42,;66.23,-43.7,)|
Show InChI InChI=1S/C92H143N27O20/c1-4-5-30-65(82(128)109-68-37-39-78(124)98-40-25-24-32-64(81(94)127)105-86(132)70(47-59-50-101-63-31-23-22-29-62(59)63)110-83(129)66(33-26-41-100-92(95)96)106-85(131)69(46-58-27-18-17-19-28-58)112-90(136)74-49-61(121)53-119(74)91(68)137)107-88(134)72(54-118(2)3)113-87(133)71(48-60-51-97-57-103-60)111-84(130)67(36-38-75(93)122)108-89(135)73(55-120)104-79(125)52-102-80(126)56-139-45-44-138-43-42-99-77(123)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-76-114-116-117-115-76/h17-19,22-23,27-29,31,50-51,57,61,64-74,101,120-121H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,93,122)(H2,94,127)(H,97,103)(H,98,124)(H,99,123)(H,102,126)(H,104,125)(H,105,132)(H,106,131)(H,107,134)(H,108,135)(H,109,128)(H,110,129)(H,111,130)(H,112,136)(H,113,133)(H4,95,96,100)(H,114,115,116,117)/t61-,64+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+/m1/s1
KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.130n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389777
PNG
(CHEMBL2070250)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:8.8,76.77,126.136,115.119,33.36,24.30,104.108,86.140,wD:128.133,4.4,14.21,90.92,(-10.32,-20.03,;-9.53,-18.71,;-10.27,-17.35,;-9.48,-16.03,;-10.23,-14.69,;-11.77,-14.66,;-12.52,-13.32,;-11.73,-12,;-14.06,-13.3,;-14.85,-14.62,;-14.8,-11.95,;-14.12,-10.33,;-13.32,-9.01,;-11.78,-9.04,;-14.06,-7.67,;-15.61,-7.64,;-16.4,-8.96,;-15.79,-10.38,;-16.95,-11.4,;-18.29,-10.61,;-17.93,-9.11,;-13.28,-6.35,;-14.03,-5,;-15.56,-4.97,;-13.23,-3.68,;-11.7,-3.71,;-10.89,-2.39,;-9.35,-2.41,;-8.61,-3.76,;-8.56,-1.09,;-13.98,-2.33,;-13.2,-1.01,;-11.64,-1.04,;-13.94,.33,;-13.15,1.65,;-11.61,1.63,;-15.48,.35,;-16.23,1.7,;-15.43,3.02,;-17.77,1.73,;-18.52,3.08,;-17.72,4.4,;-16.18,4.37,;-18.47,5.74,;-17.68,7.06,;-16.14,7.04,;-15.39,5.69,;-13.85,5.66,;-13.1,4.31,;-11.56,4.29,;-10.76,5.61,;-9.22,5.58,;-8.47,4.23,;-8.43,6.9,;-6.89,6.87,;-6.14,5.52,;-4.6,5.5,;-3.86,4.15,;-2.32,4.12,;-1.57,2.78,;-.03,2.75,;.72,1.4,;2.26,1.37,;3.05,2.69,;2.3,4.04,;3.1,5.36,;2.35,6.71,;3.14,8.04,;2.4,9.38,;.86,9.57,;.58,11.07,;1.91,11.82,;3.05,10.77,;-9.44,-13.37,;-10.18,-12.02,;-7.89,-13.39,;-7.11,-12.08,;-7.68,-10.65,;-6.64,-9.02,;-6.65,-.71,;-7.74,.38,;15.34,-.66,;15.3,-5.85,;13.96,-6.61,;13.93,-8.14,;12.59,-8.9,;12.57,-10.44,;11.22,-11.18,;9.9,-10.39,;9.92,-8.86,;8.56,-11.15,;8.53,-12.69,;9.85,-13.47,;11.27,-12.87,;12.28,-14.03,;11.49,-15.35,;11.95,-16.82,;10.9,-17.95,;9.4,-17.61,;8.95,-16.14,;9.99,-15.01,;7.23,-10.36,;5.89,-11.11,;5.86,-12.65,;4.56,-10.32,;4.59,-8.78,;5.93,-8.03,;5.96,-6.49,;7.29,-5.74,;7.32,-4.2,;6,-3.41,;8.67,-3.45,;3.22,-11.07,;1.9,-10.29,;1.92,-8.74,;.56,-11.03,;.53,-12.57,;1.85,-13.36,;3.2,-12.61,;4.52,-13.4,;4.49,-14.94,;3.16,-15.69,;1.83,-14.9,;-.77,-10.24,;-2.11,-10.99,;-2.14,-12.53,;-3.43,-10.2,;-3.33,-8.65,;-4.97,-8.29,;-5.65,-6.76,;-5.82,-9.74,;-4.71,-11.01,;-5.58,-12.29,;-4.91,-13.67,;13.89,-11.23,;15.24,-10.48,;13.87,-12.76,)|
Show InChI InChI=1S/C90H139N27O20/c1-2-3-28-64(82(128)109-67-35-37-76(122)97-38-23-22-30-63(79(93)125)105-86(132)69(45-57-48-100-62-29-21-20-27-60(57)62)110-83(129)65(31-24-39-99-90(94)95)107-85(131)68(44-56-25-16-15-17-26-56)112-88(134)72-47-59(119)52-117(72)89(67)135)106-80(126)61(91)50-102-81(127)70(46-58-49-96-55-103-58)111-84(130)66(34-36-73(92)120)108-87(133)71(53-118)104-77(123)51-101-78(124)54-137-43-42-136-41-40-98-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-113-115-116-114-74/h15-17,20-21,25-27,29,48-49,55,59,61,63-72,100,118-119H,2-14,18-19,22-24,28,30-47,50-54,91H2,1H3,(H2,92,120)(H2,93,125)(H,96,103)(H,97,122)(H,98,121)(H,101,124)(H,102,127)(H,104,123)(H,105,132)(H,106,126)(H,107,131)(H,108,133)(H,109,128)(H,110,129)(H,111,130)(H,112,134)(H4,94,95,99)(H,113,114,115,116)/t59-,61+,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+/m1/s1
KEGG

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389776
PNG
(CHEMBL2070249)
Show SMILES CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(31.22,-50.1,;32.02,-48.78,;31.27,-47.43,;32.07,-46.11,;31.31,-44.76,;29.78,-44.74,;29.03,-43.4,;29.82,-42.07,;27.49,-43.37,;26.7,-44.69,;25.15,-44.66,;26.74,-42.02,;27.53,-40.7,;29.07,-40.73,;26.78,-39.36,;25.24,-39.33,;24.45,-40.65,;25.05,-42.07,;23.89,-43.08,;22.57,-42.29,;22.92,-40.79,;27.57,-38.04,;26.82,-36.68,;25.29,-36.66,;27.61,-35.37,;29.16,-35.4,;29.95,-34.07,;31.49,-34.1,;32.23,-35.44,;32.28,-32.78,;26.87,-34.02,;27.66,-32.7,;29.2,-32.73,;26.91,-31.36,;27.7,-30.03,;29.24,-30.06,;25.37,-31.33,;24.62,-29.98,;25.41,-28.66,;23.08,-29.96,;22.33,-28.61,;23.13,-27.29,;24.67,-27.32,;22.38,-25.94,;23.18,-24.62,;24.72,-24.65,;25.46,-26,;27,-26.03,;27.75,-27.37,;29.29,-27.4,;30.08,-26.08,;31.62,-26.11,;32.37,-27.45,;32.41,-24.79,;33.95,-24.81,;34.7,-26.16,;36.24,-26.19,;36.99,-27.54,;38.53,-27.56,;39.27,-28.91,;40.81,-28.94,;41.56,-30.28,;43.1,-30.31,;43.89,-28.99,;43.15,-27.64,;43.94,-26.33,;43.19,-24.98,;43.99,-23.66,;43.24,-22.31,;41.7,-22.12,;41.42,-20.62,;42.75,-19.86,;43.89,-20.93,;32.11,-43.45,;31.36,-42.1,;33.65,-43.47,;34.44,-42.15,;33.86,-40.72,;34.91,-39.09,;34.89,-30.78,;33.8,-29.7,;56.88,-30.73,;56.84,-35.93,;55.5,-36.68,;55.47,-38.22,;54.13,-38.97,;54.11,-40.51,;52.76,-41.26,;51.44,-40.47,;51.46,-38.94,;50.1,-41.22,;50.07,-42.77,;51.39,-43.55,;52.81,-42.95,;53.83,-44.1,;53.04,-45.43,;53.49,-46.9,;52.44,-48.03,;50.94,-47.69,;50.49,-46.22,;51.53,-45.09,;48.77,-40.44,;47.43,-41.19,;47.41,-42.72,;46.1,-40.4,;46.13,-38.86,;47.47,-38.1,;47.5,-36.57,;48.84,-35.82,;48.86,-34.28,;47.54,-33.49,;50.21,-33.53,;44.76,-41.14,;43.44,-40.36,;43.46,-38.82,;42.1,-41.11,;42.07,-42.65,;43.39,-43.44,;44.74,-42.69,;46.06,-43.48,;46.03,-45.01,;44.7,-45.76,;43.38,-44.97,;40.78,-40.32,;39.43,-41.07,;39.4,-42.61,;38.11,-40.28,;38.21,-38.73,;36.57,-38.37,;35.89,-36.84,;35.72,-39.82,;36.83,-41.09,;35.97,-42.36,;36.63,-43.75,;55.43,-41.3,;56.78,-40.55,;55.41,-42.84,)|
Show InChI InChI=1S/C90H139N27O20/c1-2-3-28-63(80(126)108-66-35-37-76(122)97-38-23-22-30-62(79(93)125)104-84(130)68(45-57-49-100-61-29-21-20-27-60(57)61)109-81(127)64(31-24-39-99-90(94)95)105-83(129)67(44-56-25-16-15-17-26-56)111-88(134)72-47-59(119)52-117(72)89(66)135)106-86(132)70(48-91)112-85(131)69(46-58-50-96-55-102-58)110-82(128)65(34-36-73(92)120)107-87(133)71(53-118)103-77(123)51-101-78(124)54-137-43-42-136-41-40-98-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-113-115-116-114-74/h15-17,20-21,25-27,29,49-50,55,59,62-72,100,118-119H,2-14,18-19,22-24,28,30-48,51-54,91H2,1H3,(H2,92,120)(H2,93,125)(H,96,102)(H,97,122)(H,98,121)(H,101,124)(H,103,123)(H,104,130)(H,105,129)(H,106,132)(H,107,133)(H,108,126)(H,109,127)(H,110,128)(H,111,134)(H,112,131)(H4,94,95,99)(H,113,114,115,116)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389774
PNG
(CHEMBL2070247)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(28.38,-21.15,;29.18,-19.83,;28.43,-18.48,;29.23,-17.16,;28.47,-15.81,;26.94,-15.79,;26.19,-14.45,;26.98,-13.12,;24.65,-14.42,;23.86,-15.74,;22.31,-15.71,;23.9,-13.07,;24.69,-11.75,;26.23,-11.78,;23.94,-10.41,;22.41,-10.38,;21.61,-11.7,;22.21,-13.12,;21.06,-14.13,;19.73,-13.34,;20.08,-11.84,;24.73,-9.09,;23.98,-7.74,;22.45,-7.71,;24.77,-6.42,;26.32,-6.45,;27.11,-5.12,;28.65,-5.15,;29.39,-6.5,;29.44,-3.83,;24.03,-5.07,;24.82,-3.75,;26.36,-3.78,;24.07,-2.41,;24.86,-1.09,;26.4,-1.11,;22.53,-2.38,;21.78,-1.04,;22.57,.29,;20.24,-1.01,;19.5,.34,;20.29,1.66,;21.83,1.63,;19.54,3,;20.34,4.32,;21.88,4.3,;22.62,2.95,;24.16,2.92,;24.91,1.58,;26.45,1.55,;27.24,2.87,;28.78,2.84,;29.53,1.49,;29.57,4.16,;31.11,4.13,;31.86,2.79,;33.4,2.76,;34.15,1.41,;35.69,1.39,;36.43,.04,;37.97,.01,;38.72,-1.34,;40.26,-1.36,;41.05,-.04,;40.31,1.3,;41.1,2.62,;40.35,3.97,;41.15,5.29,;40.4,6.64,;38.86,6.83,;38.58,8.33,;39.91,9.08,;41.05,8.03,;29.27,-14.5,;28.52,-13.15,;30.81,-14.52,;31.6,-13.2,;31.02,-11.77,;32.07,-10.15,;32.05,-1.84,;30.96,-.75,;54.04,-1.78,;54.01,-6.98,;52.66,-7.73,;52.63,-9.27,;51.29,-10.02,;51.27,-11.57,;49.93,-12.31,;48.6,-11.52,;48.62,-9.99,;47.26,-12.28,;47.24,-13.82,;48.55,-14.6,;49.97,-14,;50.99,-15.16,;50.2,-16.48,;50.65,-17.95,;49.6,-19.08,;48.1,-18.74,;47.65,-17.27,;48.69,-16.14,;45.93,-11.49,;44.59,-12.24,;44.57,-13.77,;43.26,-11.45,;43.29,-9.91,;44.63,-9.15,;44.66,-7.62,;46,-6.87,;46.02,-5.33,;44.7,-4.54,;47.37,-4.58,;41.92,-12.19,;40.6,-11.41,;40.62,-9.87,;39.26,-12.16,;39.23,-13.7,;40.56,-14.49,;41.9,-13.74,;43.22,-14.53,;43.2,-16.06,;41.86,-16.82,;40.54,-16.03,;37.94,-11.37,;36.59,-12.12,;36.57,-13.66,;35.27,-11.33,;35.37,-9.78,;33.73,-9.42,;33.05,-7.89,;32.88,-10.87,;33.99,-12.14,;33.13,-13.42,;33.79,-14.8,;52.59,-12.36,;53.94,-11.6,;52.57,-13.89,)|
Show InChI InChI=1S/C90H138N26O21/c1-2-3-28-63(80(126)107-66-35-37-76(122)96-38-23-22-30-62(79(92)125)103-84(130)68(45-57-48-99-61-29-21-20-27-60(57)61)108-81(127)64(31-24-39-98-90(93)94)104-83(129)67(44-56-25-16-15-17-26-56)110-88(134)72-47-59(119)51-116(72)89(66)135)105-87(133)71(53-118)111-85(131)69(46-58-49-95-55-101-58)109-82(128)65(34-36-73(91)120)106-86(132)70(52-117)102-77(123)50-100-78(124)54-137-43-42-136-41-40-97-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-112-114-115-113-74/h15-17,20-21,25-27,29,48-49,55,59,62-72,99,117-119H,2-14,18-19,22-24,28,30-47,50-54H2,1H3,(H2,91,120)(H2,92,125)(H,95,101)(H,96,122)(H,97,121)(H,100,124)(H,102,123)(H,103,130)(H,104,129)(H,105,133)(H,106,132)(H,107,126)(H,108,127)(H,109,128)(H,110,134)(H,111,131)(H4,93,94,98)(H,112,113,114,115)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389769
PNG
(BREMELANOTIDE)
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(O)=O |r,wU:61.64,50.52,39.41,25.25,4.4,wD:12.11,21.75,(-11.27,-.98,;-11.98,-2.34,;-11.15,-3.64,;-9.61,-3.57,;-8.78,-4.87,;-9.49,-6.24,;-11.03,-6.31,;-11.73,-7.67,;-11.86,-5.01,;-7.24,-4.8,;-6.41,-6.1,;-6.53,-3.43,;-4.99,-3.36,;-4.15,-4.65,;-4.16,-6.3,;-5.38,-7.46,;9.13,-7.95,;9.83,-6.57,;8.99,-5.29,;9.68,-3.91,;8.85,-2.63,;9.54,-1.25,;8.7,.04,;7.17,-.04,;6.47,-1.42,;6.33,1.25,;7.03,2.62,;8.56,2.7,;9.53,1.55,;10.96,2.1,;10.89,3.65,;11.98,4.73,;11.57,6.22,;10.08,6.61,;9,5.52,;9.4,4.04,;4.79,1.16,;3.95,2.46,;4.65,3.83,;2.41,2.38,;1.57,3.67,;2.27,5.04,;3.81,5.12,;4.51,6.49,;6.04,6.57,;6.88,5.28,;6.74,7.95,;1.71,1,;.18,.92,;-.66,2.21,;-.52,-.45,;.32,-1.74,;1.86,-1.66,;2.69,-2.95,;4.24,-2.86,;4.93,-1.49,;4.09,-.2,;2.55,-.28,;-2.06,-.53,;-2.9,.76,;-2.2,2.13,;-4.44,.67,;-5.28,1.97,;-4.58,3.34,;-5.29,4.71,;-4.2,5.81,;-2.82,5.1,;-3.06,3.57,;-5.14,-.69,;-4.3,-1.99,;-2.76,-1.9,;11.08,-1.17,;11.92,-2.46,;11.78,.2,)|
Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389779
PNG
(CHEMBL2070252)
Show SMILES CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:36.39,27.33,79.80,129.139,118.122,107.111,89.143,wD:17.24,8.13,4.4,93.95,131.136,(5.52,-51.26,;6.31,-49.94,;5.56,-48.59,;6.36,-47.27,;5.61,-45.92,;4.07,-45.92,;3.33,-44.53,;4.11,-43.23,;1.78,-44.53,;.99,-45.84,;1.74,-47.19,;.94,-48.51,;1.69,-49.86,;-.6,-48.51,;1.03,-43.18,;1.82,-41.86,;3.37,-41.86,;1.08,-40.52,;-.47,-40.52,;-1.26,-41.81,;-.65,-43.23,;-1.81,-44.24,;-3.15,-43.45,;-2.79,-41.95,;1.87,-39.19,;1.12,-37.84,;-.42,-37.84,;1.91,-36.53,;3.45,-36.53,;4.24,-35.26,;5.78,-35.26,;6.53,-36.6,;6.58,-33.94,;1.16,-35.18,;1.95,-33.86,;3.49,-33.86,;1.2,-32.52,;2,-31.19,;3.53,-31.19,;-.35,-32.52,;-1.09,-31.14,;-.3,-29.82,;-2.63,-31.14,;-3.38,-29.77,;-2.59,-28.45,;-1.05,-28.45,;-3.33,-27.1,;-2.54,-25.78,;-1,-25.78,;-.25,-27.16,;1.3,-27.16,;2.04,-28.53,;3.58,-28.53,;4.38,-27.27,;5.91,-27.27,;6.66,-28.61,;6.71,-25.95,;8.25,-25.95,;8.99,-27.32,;10.53,-27.32,;11.28,-28.69,;12.82,-28.69,;13.57,-30.07,;15.11,-30.07,;15.85,-31.44,;17.39,-31.44,;18.19,-30.15,;17.44,-28.8,;18.23,-27.48,;17.49,-26.14,;18.28,-24.82,;17.53,-23.47,;15.99,-23.28,;15.71,-21.78,;17.04,-21.02,;18.19,-22.08,;6.4,-44.6,;5.65,-43.26,;7.94,-44.6,;8.73,-43.31,;8.16,-41.88,;9.19,-40.25,;9.19,-31.94,;8.09,-30.86,;31.14,-31.94,;31.14,-37.09,;29.77,-37.84,;29.77,-39.38,;28.41,-40.13,;28.41,-41.67,;27.06,-42.42,;25.74,-41.63,;25.74,-40.1,;24.39,-42.38,;24.39,-43.93,;25.69,-44.71,;27.1,-44.11,;28.12,-45.26,;27.33,-46.58,;27.79,-48.06,;26.74,-49.19,;25.23,-48.85,;24.79,-47.38,;25.83,-46.25,;23.06,-41.6,;21.73,-42.35,;21.73,-43.88,;20.4,-41.56,;20.4,-40.01,;21.77,-39.26,;21.77,-37.73,;23.16,-36.97,;23.16,-35.44,;21.84,-34.65,;24.5,-34.68,;19.06,-42.3,;17.73,-41.52,;17.73,-39.98,;16.39,-42.27,;16.39,-43.81,;17.69,-44.6,;19.03,-43.85,;20.36,-44.64,;20.36,-46.17,;18.99,-46.92,;17.69,-46.13,;15.07,-41.48,;13.73,-42.23,;13.73,-43.76,;12.4,-41.44,;12.51,-39.88,;10.86,-39.53,;10.19,-38,;10.02,-40.97,;11.13,-42.24,;10.26,-43.52,;10.92,-44.91,;29.73,-42.46,;31.07,-41.71,;29.73,-44,)|
Show InChI InChI=1S/C93H145N27O20/c1-4-5-30-66(83(129)111-69-37-39-79(125)99-40-25-24-32-65(82(95)128)107-87(133)71(47-60-50-103-64-31-23-22-29-63(60)64)112-84(130)67(33-26-41-101-93(96)97)108-86(132)70(46-59-27-18-17-19-28-59)114-91(137)75-49-62(122)54-120(75)92(69)138)109-89(135)73(52-102-58(2)3)115-88(134)72(48-61-51-98-57-105-61)113-85(131)68(36-38-76(94)123)110-90(136)74(55-121)106-80(126)53-104-81(127)56-140-45-44-139-43-42-100-78(124)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-77-116-118-119-117-77/h17-19,22-23,27-29,31,50-51,57-58,62,65-75,102-103,121-122H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,94,123)(H2,95,128)(H,98,105)(H,99,125)(H,100,124)(H,104,127)(H,106,126)(H,107,133)(H,108,132)(H,109,135)(H,110,136)(H,111,129)(H,112,130)(H,113,131)(H,114,137)(H,115,134)(H4,96,97,101)(H,116,117,118,119)/t62-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389775
PNG
(CHEMBL2070248)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:46.45,96.104,85.87,74.76,56.108,wD:38.37,60.60,98.101,(3.21,-29.61,;1.67,-29.58,;.93,-28.23,;-.61,-28.21,;-1.36,-26.86,;-2.9,-26.83,;-3.69,-28.15,;-5.23,-28.13,;-6.02,-29.45,;-7.56,-29.42,;-8.31,-28.07,;-9.85,-28.04,;-10.6,-26.7,;-12.15,-26.67,;-12.94,-27.99,;-12.19,-29.34,;-10.64,-29.36,;-12.99,-30.66,;-12.24,-32,;-10.69,-32.03,;-9.9,-30.71,;-9.94,-33.38,;-8.4,-33.4,;-7.65,-34.74,;-6.11,-34.77,;-8.45,-36.07,;-7.7,-37.42,;-8.49,-38.73,;-10.02,-38.7,;-7.74,-40.08,;-8.53,-41.4,;-7.78,-42.75,;-6.24,-42.77,;-8.57,-44.07,;-7.82,-45.42,;-6.28,-45.44,;-5.49,-44.12,;-5.53,-46.78,;-4,-46.81,;-3.25,-48.16,;-4.04,-49.48,;-3.3,-50.83,;-4.09,-52.15,;-3.21,-45.49,;-3.95,-44.15,;-1.66,-45.52,;-.88,-44.2,;-1.45,-42.77,;-.41,-41.14,;-.42,-32.83,;-1.51,-31.74,;21.57,-32.78,;21.53,-37.98,;20.19,-38.73,;20.16,-40.27,;18.82,-41.02,;18.8,-42.56,;17.45,-43.31,;16.13,-42.52,;16.15,-40.98,;14.79,-43.27,;14.76,-44.81,;16.08,-45.6,;17.5,-44.99,;18.51,-46.15,;17.72,-47.47,;18.18,-48.94,;17.13,-50.07,;15.63,-49.74,;15.18,-48.26,;16.22,-47.13,;13.46,-42.48,;12.12,-43.23,;12.09,-44.77,;10.79,-42.45,;10.82,-40.9,;12.16,-40.15,;12.19,-38.61,;13.52,-37.86,;13.55,-36.32,;12.23,-35.53,;14.9,-35.57,;9.45,-43.19,;8.13,-42.41,;8.15,-40.86,;6.79,-43.15,;6.76,-44.7,;8.08,-45.49,;9.43,-44.73,;10.75,-45.52,;10.72,-47.06,;9.39,-47.81,;8.06,-47.02,;5.46,-42.36,;4.12,-43.12,;4.09,-44.65,;2.8,-42.33,;2.9,-40.77,;1.26,-40.42,;.58,-38.88,;.41,-41.86,;1.52,-43.13,;.65,-44.41,;1.32,-45.79,;20.12,-43.35,;21.47,-42.6,;20.1,-44.89,)|
Show InChI InChI=1S/C74H114N18O15/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-60(94)81-42-62(96)82-43-63(97)83-44-64(98)84-45-65(99)85-46-66(100)86-54(29-6-4-2)68(102)89-56-34-35-61(95)78-36-24-23-31-53(67(75)101)87-71(105)58(39-49-41-80-52-30-22-21-28-51(49)52)90-69(103)55(32-25-37-79-74(76)77)88-70(104)57(38-48-26-18-17-19-27-48)91-72(106)59-40-50(93)47-92(59)73(56)107/h17-19,21-22,26-28,30,41,50,53-59,80,93H,3-16,20,23-25,29,31-40,42-47H2,1-2H3,(H2,75,101)(H,78,95)(H,81,94)(H,82,96)(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,105)(H,88,104)(H,89,102)(H,90,103)(H,91,106)(H4,76,77,79)/t50-,53+,54+,55+,56+,57-,58+,59+/m1/s1
KEGG

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0.330n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389783
PNG
(CHEMBL2070245)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:22.21,28.27,63.62,113.121,102.104,91.93,73.125,wD:37.36,49.48,55.54,77.77,115.118,(23.51,-35.85,;21.97,-35.83,;21.23,-34.48,;19.69,-34.45,;18.94,-33.11,;17.4,-33.08,;16.61,-34.4,;15.07,-34.37,;14.28,-35.69,;12.74,-35.66,;11.99,-34.32,;10.45,-34.29,;9.7,-32.94,;8.16,-32.92,;7.37,-34.24,;8.12,-35.58,;9.66,-35.61,;7.32,-36.9,;8.07,-38.25,;9.61,-38.28,;10.4,-36.95,;10.36,-39.62,;11.9,-39.65,;12.69,-38.33,;14.23,-38.35,;12.65,-40.99,;14.19,-41.02,;11.85,-42.31,;12.6,-43.66,;14.15,-43.69,;14.94,-42.36,;16.48,-42.39,;17.22,-43.74,;17.27,-41.07,;11.81,-44.98,;10.28,-44.95,;12.56,-46.33,;11.77,-47.65,;10.23,-47.62,;9.44,-48.94,;7.9,-48.91,;7.11,-50.23,;5.57,-50.2,;4.77,-51.52,;3.23,-51.49,;5.52,-52.87,;12.52,-48.99,;14.06,-49.02,;11.73,-50.31,;12.48,-51.66,;11.69,-52.98,;10.14,-52.95,;14.02,-51.69,;14.81,-50.36,;14.77,-53.03,;16.3,-53.05,;17.05,-54.4,;16.26,-55.72,;17,-57.07,;16.21,-58.39,;17.09,-51.74,;16.35,-50.39,;18.64,-51.76,;19.42,-50.44,;18.85,-49.01,;19.89,-47.39,;19.88,-39.08,;18.79,-37.99,;41.87,-39.02,;41.83,-44.22,;40.49,-44.97,;40.46,-46.51,;39.12,-47.26,;39.1,-48.81,;37.75,-49.55,;36.43,-48.76,;36.45,-47.23,;35.09,-49.52,;35.06,-51.06,;36.38,-51.84,;37.8,-51.24,;38.81,-52.4,;38.02,-53.72,;38.48,-55.19,;37.43,-56.32,;35.93,-55.98,;35.48,-54.51,;36.52,-53.38,;33.76,-48.73,;32.42,-49.48,;32.39,-51.01,;31.09,-48.69,;31.12,-47.15,;32.46,-46.39,;32.49,-44.86,;33.82,-44.11,;33.85,-42.57,;32.53,-41.78,;35.2,-41.82,;29.75,-49.43,;28.43,-48.65,;28.45,-47.11,;27.09,-49.4,;27.06,-50.94,;28.38,-51.73,;29.73,-50.98,;31.05,-51.77,;31.02,-53.3,;29.69,-54.06,;28.36,-53.27,;25.76,-48.61,;24.42,-49.36,;24.39,-50.9,;23.1,-48.57,;23.2,-47.02,;21.56,-46.66,;20.88,-45.13,;20.71,-48.11,;21.82,-49.38,;20.95,-50.66,;21.62,-52.04,;40.42,-49.6,;41.77,-48.84,;40.4,-51.13,)|
Show InChI InChI=1S/C84H134N22O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-36-69(111)95-48-71(113)96-65(50-107)79(121)101-61(37-39-68(85)110)76(118)98-59(34-24-26-42-92-83(87)88)75(117)105-66(51-108)80(122)100-58(31-6-4-2)73(115)102-62-38-40-70(112)91-41-25-23-33-57(72(86)114)97-78(120)64(45-53-47-94-56-32-22-21-30-55(53)56)103-74(116)60(35-27-43-93-84(89)90)99-77(119)63(44-52-28-18-17-19-29-52)104-81(123)67-46-54(109)49-106(67)82(62)124/h17-19,21-22,28-30,32,47,54,57-67,94,107-109H,3-16,20,23-27,31,33-46,48-51H2,1-2H3,(H2,85,110)(H2,86,114)(H,91,112)(H,95,111)(H,96,113)(H,97,120)(H,98,118)(H,99,119)(H,100,122)(H,101,121)(H,102,115)(H,103,116)(H,104,123)(H,105,117)(H4,87,88,92)(H4,89,90,93)/t54-,57+,58+,59+,60+,61+,62+,63-,64+,65+,66+,67+/m1/s1
KEGG

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0.370n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389783
PNG
(CHEMBL2070245)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:22.21,28.27,63.62,113.121,102.104,91.93,73.125,wD:37.36,49.48,55.54,77.77,115.118,(23.51,-35.85,;21.97,-35.83,;21.23,-34.48,;19.69,-34.45,;18.94,-33.11,;17.4,-33.08,;16.61,-34.4,;15.07,-34.37,;14.28,-35.69,;12.74,-35.66,;11.99,-34.32,;10.45,-34.29,;9.7,-32.94,;8.16,-32.92,;7.37,-34.24,;8.12,-35.58,;9.66,-35.61,;7.32,-36.9,;8.07,-38.25,;9.61,-38.28,;10.4,-36.95,;10.36,-39.62,;11.9,-39.65,;12.69,-38.33,;14.23,-38.35,;12.65,-40.99,;14.19,-41.02,;11.85,-42.31,;12.6,-43.66,;14.15,-43.69,;14.94,-42.36,;16.48,-42.39,;17.22,-43.74,;17.27,-41.07,;11.81,-44.98,;10.28,-44.95,;12.56,-46.33,;11.77,-47.65,;10.23,-47.62,;9.44,-48.94,;7.9,-48.91,;7.11,-50.23,;5.57,-50.2,;4.77,-51.52,;3.23,-51.49,;5.52,-52.87,;12.52,-48.99,;14.06,-49.02,;11.73,-50.31,;12.48,-51.66,;11.69,-52.98,;10.14,-52.95,;14.02,-51.69,;14.81,-50.36,;14.77,-53.03,;16.3,-53.05,;17.05,-54.4,;16.26,-55.72,;17,-57.07,;16.21,-58.39,;17.09,-51.74,;16.35,-50.39,;18.64,-51.76,;19.42,-50.44,;18.85,-49.01,;19.89,-47.39,;19.88,-39.08,;18.79,-37.99,;41.87,-39.02,;41.83,-44.22,;40.49,-44.97,;40.46,-46.51,;39.12,-47.26,;39.1,-48.81,;37.75,-49.55,;36.43,-48.76,;36.45,-47.23,;35.09,-49.52,;35.06,-51.06,;36.38,-51.84,;37.8,-51.24,;38.81,-52.4,;38.02,-53.72,;38.48,-55.19,;37.43,-56.32,;35.93,-55.98,;35.48,-54.51,;36.52,-53.38,;33.76,-48.73,;32.42,-49.48,;32.39,-51.01,;31.09,-48.69,;31.12,-47.15,;32.46,-46.39,;32.49,-44.86,;33.82,-44.11,;33.85,-42.57,;32.53,-41.78,;35.2,-41.82,;29.75,-49.43,;28.43,-48.65,;28.45,-47.11,;27.09,-49.4,;27.06,-50.94,;28.38,-51.73,;29.73,-50.98,;31.05,-51.77,;31.02,-53.3,;29.69,-54.06,;28.36,-53.27,;25.76,-48.61,;24.42,-49.36,;24.39,-50.9,;23.1,-48.57,;23.2,-47.02,;21.56,-46.66,;20.88,-45.13,;20.71,-48.11,;21.82,-49.38,;20.95,-50.66,;21.62,-52.04,;40.42,-49.6,;41.77,-48.84,;40.4,-51.13,)|
Show InChI InChI=1S/C84H134N22O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-36-69(111)95-48-71(113)96-65(50-107)79(121)101-61(37-39-68(85)110)76(118)98-59(34-24-26-42-92-83(87)88)75(117)105-66(51-108)80(122)100-58(31-6-4-2)73(115)102-62-38-40-70(112)91-41-25-23-33-57(72(86)114)97-78(120)64(45-53-47-94-56-32-22-21-30-55(53)56)103-74(116)60(35-27-43-93-84(89)90)99-77(119)63(44-52-28-18-17-19-29-52)104-81(123)67-46-54(109)49-106(67)82(62)124/h17-19,21-22,28-30,32,47,54,57-67,94,107-109H,3-16,20,23-27,31,33-46,48-51H2,1-2H3,(H2,85,110)(H2,86,114)(H,91,112)(H,95,111)(H,96,113)(H,97,120)(H,98,118)(H,99,119)(H,100,122)(H,101,121)(H,102,115)(H,103,116)(H,104,123)(H,105,117)(H4,87,88,92)(H4,89,90,93)/t54-,57+,58+,59+,60+,61+,62+,63-,64+,65+,66+,67+/m1/s1
UniProtKB/SwissProt

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0.470n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
UniProtKB/SwissProt

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0.480n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389782
PNG
(CHEMBL2070374)
Show SMILES CCCC[C@H](NC(=O)[C@H](CNC(=O)CN(CC(O)=O)CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:45.48,36.42,88.89,138.148,127.131,116.120,98.152,wD:26.33,8.22,4.4,102.104,140.145,(43.48,-56.24,;44.27,-54.92,;43.52,-53.57,;44.32,-52.25,;43.57,-50.9,;42.03,-50.9,;41.29,-49.51,;42.07,-48.21,;39.75,-49.51,;38.96,-50.82,;39.7,-52.17,;38.91,-53.49,;39.65,-54.84,;37.37,-53.49,;36.57,-54.78,;35.03,-54.78,;34.29,-53.4,;35.08,-52.08,;32.75,-53.4,;37.32,-56.13,;36.52,-57.45,;34.98,-57.45,;37.27,-58.8,;39,-48.16,;39.79,-46.84,;41.33,-46.84,;39.04,-45.49,;37.5,-45.49,;36.71,-46.79,;37.31,-48.2,;36.15,-49.22,;34.83,-48.43,;35.17,-46.93,;39.83,-44.17,;39.08,-42.82,;37.54,-42.82,;39.87,-41.51,;41.41,-41.51,;42.21,-40.23,;43.74,-40.23,;44.49,-41.58,;44.54,-38.92,;39.12,-40.16,;39.91,-38.84,;41.46,-38.84,;39.17,-37.5,;39.96,-36.17,;41.5,-36.17,;37.63,-37.5,;36.88,-36.12,;37.67,-34.8,;35.34,-36.12,;34.59,-34.75,;35.39,-33.43,;36.93,-33.43,;34.64,-32.08,;35.43,-30.76,;36.97,-30.76,;37.72,-32.14,;39.26,-32.14,;40.01,-33.51,;41.54,-33.51,;42.34,-32.24,;43.88,-32.24,;44.62,-33.59,;44.67,-30.92,;46.21,-30.92,;46.96,-32.3,;48.5,-32.3,;49.24,-33.67,;50.78,-33.67,;51.53,-35.05,;53.07,-35.05,;53.82,-36.42,;55.36,-36.42,;56.15,-35.13,;55.4,-33.78,;56.2,-32.46,;55.45,-31.11,;56.24,-29.79,;55.5,-28.45,;53.96,-28.26,;53.67,-26.76,;55.01,-26,;56.15,-27.06,;44.36,-49.58,;43.61,-48.24,;45.91,-49.58,;46.69,-48.29,;46.12,-46.86,;47.15,-45.23,;47.15,-36.92,;46.06,-35.83,;69.1,-36.92,;69.1,-42.07,;67.73,-42.82,;67.73,-44.36,;66.37,-45.11,;66.37,-46.65,;65.02,-47.4,;63.7,-46.61,;63.7,-45.07,;62.36,-47.36,;62.36,-48.9,;63.65,-49.69,;65.06,-49.08,;66.08,-50.24,;65.29,-51.56,;65.75,-53.03,;64.7,-54.17,;63.2,-53.83,;62.75,-52.35,;63.79,-51.22,;61.03,-46.57,;59.69,-47.32,;59.69,-48.86,;58.36,-46.54,;58.36,-44.99,;59.73,-44.24,;59.73,-42.7,;61.12,-41.95,;61.12,-40.42,;59.8,-39.63,;62.46,-39.66,;57.02,-47.28,;55.69,-46.5,;55.69,-44.96,;54.35,-47.24,;54.35,-48.79,;55.65,-49.58,;57,-48.82,;58.32,-49.61,;58.32,-51.15,;56.95,-51.9,;55.65,-51.11,;53.03,-46.45,;51.69,-47.21,;51.69,-48.74,;50.37,-46.42,;50.47,-44.86,;48.83,-44.51,;48.15,-42.98,;47.98,-45.95,;49.09,-47.22,;48.22,-48.5,;48.89,-49.88,;67.69,-47.44,;69.03,-46.69,;67.69,-48.98,)|
Show InChI InChI=1S/C96H146N28O25/c1-2-3-28-66(86(138)114-69-35-37-79(129)102-38-23-22-30-65(85(98)137)110-90(142)71(45-60-48-105-64-29-21-20-27-63(60)64)115-87(139)67(31-24-39-104-96(99)100)111-89(141)70(44-59-25-16-15-17-26-59)117-94(146)75-47-62(126)52-124(75)95(69)147)112-92(144)73(50-106-81(131)53-123(54-83(133)134)55-84(135)136)118-91(143)72(46-61-49-101-58-108-61)116-88(140)68(34-36-76(97)127)113-93(145)74(56-125)109-80(130)51-107-82(132)57-149-43-42-148-41-40-103-78(128)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-77-119-121-122-120-77/h15-17,20-21,25-27,29,48-49,58,62,65-75,105,125-126H,2-14,18-19,22-24,28,30-47,50-57H2,1H3,(H2,97,127)(H2,98,137)(H,101,108)(H,102,129)(H,103,128)(H,106,131)(H,107,132)(H,109,130)(H,110,142)(H,111,141)(H,112,144)(H,113,145)(H,114,138)(H,115,139)(H,116,140)(H,117,146)(H,118,143)(H,133,134)(H,135,136)(H4,99,100,104)(H,119,120,121,122)/t62-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+/m1/s1
KEGG

UniProtKB/SwissProt

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0.580n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
UniProtKB/SwissProt

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0.780n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389772
PNG
(CHEMBL2070244)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.37,26.31,49.48,99.107,88.90,77.79,59.111,wD:14.22,8.10,4.4,63.63,101.104,(9.16,-60.72,;9.95,-59.4,;9.2,-58.05,;10,-56.73,;9.25,-55.38,;7.71,-55.36,;6.96,-54.02,;7.75,-52.69,;5.42,-53.99,;4.63,-55.3,;3.09,-55.28,;4.67,-52.64,;5.46,-51.32,;7.01,-51.35,;4.72,-49.98,;3.18,-49.95,;2.38,-51.27,;.85,-51.24,;.05,-52.56,;-1.49,-52.53,;-2.28,-53.85,;-3.82,-53.82,;-1.54,-55.2,;5.51,-48.66,;4.76,-47.3,;3.22,-47.28,;5.55,-45.99,;7.09,-46.02,;7.88,-44.69,;9.42,-44.72,;10.17,-46.06,;10.21,-43.4,;4.8,-44.64,;5.59,-43.32,;7.13,-43.34,;4.84,-41.98,;5.64,-40.65,;7.17,-40.68,;3.3,-41.95,;2.56,-40.6,;3.35,-39.28,;1.02,-40.58,;.27,-39.23,;1.06,-37.91,;.32,-36.56,;2.6,-37.94,;10.04,-54.06,;9.29,-52.72,;11.58,-54.09,;12.37,-52.77,;11.79,-51.34,;12.84,-49.71,;12.82,-41.4,;11.73,-40.32,;34.81,-41.35,;34.78,-46.55,;33.43,-47.3,;33.4,-48.84,;32.06,-49.59,;32.04,-51.13,;30.7,-51.88,;29.37,-51.09,;29.39,-49.56,;28.03,-51.84,;28.01,-53.39,;29.32,-54.17,;30.74,-53.57,;31.76,-54.72,;30.97,-56.04,;31.42,-57.51,;30.37,-58.65,;28.87,-58.31,;28.42,-56.84,;29.46,-55.71,;26.7,-51.06,;25.36,-51.81,;25.34,-53.34,;24.04,-51.02,;24.06,-49.48,;25.4,-48.72,;25.43,-47.19,;26.77,-46.43,;26.79,-44.9,;25.47,-44.11,;28.14,-44.15,;22.7,-51.76,;21.37,-50.98,;21.39,-49.44,;20.03,-51.73,;20.01,-53.27,;21.33,-54.06,;22.67,-53.31,;23.99,-54.1,;23.97,-55.63,;22.63,-56.38,;21.31,-55.59,;18.71,-50.94,;17.36,-51.69,;17.34,-53.22,;16.04,-50.9,;16.15,-49.34,;14.5,-48.99,;13.83,-47.46,;13.66,-50.43,;14.76,-51.7,;13.9,-52.98,;14.56,-54.37,;33.36,-51.92,;34.71,-51.17,;33.34,-53.46,)|
Show InChI InChI=1S/C70H106N22O18/c1-3-4-18-45(86-66(108)53(37-94)91-61(103)46(21-11-13-28-78-69(73)74)84-62(104)48(23-25-55(71)97)87-65(107)52(36-93)82-57(99)34-80-38(2)95)59(101)88-49-24-26-56(98)77-27-12-10-20-44(58(72)100)83-64(106)51(31-40-33-81-43-19-9-8-17-42(40)43)89-60(102)47(22-14-29-79-70(75)76)85-63(105)50(30-39-15-6-5-7-16-39)90-67(109)54-32-41(96)35-92(54)68(49)110/h5-9,15-17,19,33,41,44-54,81,93-94,96H,3-4,10-14,18,20-32,34-37H2,1-2H3,(H2,71,97)(H2,72,100)(H,77,98)(H,80,95)(H,82,99)(H,83,106)(H,84,104)(H,85,105)(H,86,108)(H,87,107)(H,88,101)(H,89,102)(H,90,109)(H,91,103)(H4,73,74,78)(H4,75,76,79)/t41-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54+/m1/s1
KEGG

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1n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389773
PNG
(CHEMBL2070246)
Show SMILES CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:70.70,120.129,109.112,98.101,80.133,31.30,37.36,wD:46.45,56.56,62.62,84.85,122.126,(11.68,.45,;10.14,.48,;9.34,-.84,;7.8,-.82,;7.01,-2.14,;5.47,-2.11,;4.72,-.76,;3.18,-.73,;2.44,.61,;.9,.64,;.15,1.99,;-1.39,2.01,;-2.13,3.36,;-3.67,3.39,;-4.42,4.74,;-5.96,4.76,;-6.71,6.1,;-6.75,3.44,;-8.3,3.48,;-9.64,4.25,;-8.3,5.02,;-9.09,2.15,;-10.63,2.18,;-11.43,.86,;-10.67,-.49,;-9.13,-.52,;-11.48,-1.81,;-10.72,-3.16,;-9.18,-3.18,;-8.39,-1.86,;-8.43,-4.53,;-6.89,-4.56,;-6.1,-3.23,;-4.56,-3.26,;-6.15,-5.9,;-4.6,-5.92,;-6.94,-7.22,;-6.19,-8.57,;-4.65,-8.6,;-3.85,-7.27,;-2.32,-7.3,;-1.57,-8.64,;-1.52,-5.98,;-6.98,-9.88,;-8.52,-9.86,;-6.23,-11.23,;-7.02,-12.55,;-8.56,-12.53,;-9.35,-13.85,;-8.75,-15.27,;-9.91,-16.28,;-11.25,-15.49,;-10.89,-13.99,;-6.27,-13.9,;-4.73,-13.92,;-7.06,-15.22,;-6.31,-16.57,;-7.1,-17.88,;-8.65,-17.86,;-4.77,-16.6,;-3.99,-15.27,;-4.03,-17.94,;-2.49,-17.96,;-1.74,-19.31,;-2.54,-20.63,;-1.79,-21.98,;-2.58,-23.3,;-1.7,-16.64,;-2.45,-15.3,;-.15,-16.67,;.63,-15.35,;.06,-13.92,;1.1,-12.29,;1.09,-3.98,;-0,-2.9,;23.07,-3.93,;23.04,-9.13,;21.7,-9.88,;21.67,-11.42,;20.33,-12.17,;20.31,-13.71,;18.96,-14.46,;17.64,-13.67,;17.66,-12.13,;16.3,-14.42,;16.27,-15.97,;17.59,-16.75,;19,-16.14,;20.02,-17.3,;19.23,-18.62,;19.69,-20.09,;18.64,-21.23,;17.14,-20.89,;16.69,-19.41,;17.73,-18.28,;14.97,-13.63,;13.63,-14.39,;13.6,-15.92,;12.3,-13.6,;12.32,-12.05,;13.67,-11.3,;13.7,-9.76,;15.03,-9.01,;15.06,-7.48,;13.74,-6.69,;16.4,-6.72,;10.96,-14.34,;9.63,-13.56,;9.66,-12.02,;8.29,-14.3,;8.27,-15.85,;9.59,-16.64,;10.94,-15.88,;12.26,-16.67,;12.23,-18.21,;10.89,-18.96,;9.57,-18.17,;6.97,-13.51,;5.63,-14.27,;5.6,-15.8,;4.31,-13.48,;4.41,-11.92,;2.77,-11.57,;2.09,-10.04,;1.92,-13.01,;3.03,-14.28,;2.16,-15.56,;2.83,-16.95,;21.63,-14.5,;22.97,-13.75,;21.6,-16.04,)|
Show InChI InChI=1S/C87H134N22O21S/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-34-74(116)108-131(129,130)42-26-35-72(114)96-49-75(117)98-68(51-110)83(125)102-63(36-38-71(88)113)79(121)105-67(45-56-48-92-53-97-56)82(124)107-69(52-111)84(126)101-61(30-6-4-2)77(119)103-64-37-39-73(115)93-40-24-23-32-60(76(89)118)99-81(123)66(44-55-47-95-59-31-22-21-29-58(55)59)104-78(120)62(33-25-41-94-87(90)91)100-80(122)65(43-54-27-18-17-19-28-54)106-85(127)70-46-57(112)50-109(70)86(64)128/h17-19,21-22,27-29,31,47-48,53,57,60-70,95,110-112H,3-16,20,23-26,30,32-46,49-52H2,1-2H3,(H2,88,113)(H2,89,118)(H,92,97)(H,93,115)(H,96,114)(H,98,117)(H,99,123)(H,100,122)(H,101,126)(H,102,125)(H,103,119)(H,104,120)(H,105,121)(H,106,127)(H,107,124)(H,108,116)(H4,90,91,94)/t57-,60+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+/m1/s1
UniProtKB/SwissProt

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1.20n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
KEGG

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1.5n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389771
PNG
(CHEMBL2070243)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:28.27,61.61,111.120,100.103,89.92,71.124,22.21,wD:37.36,47.47,53.53,75.76,113.117,(12.35,-13.87,;10.81,-13.85,;10.07,-12.5,;8.53,-12.47,;7.78,-11.13,;6.24,-11.1,;5.45,-12.42,;3.91,-12.39,;3.11,-13.71,;1.58,-13.68,;.83,-12.34,;-.71,-12.31,;-1.46,-10.96,;-3,-10.94,;-3.79,-12.26,;-3.04,-13.6,;-1.5,-13.63,;-3.84,-14.92,;-3.09,-16.27,;-1.55,-16.3,;-.76,-14.97,;-.8,-17.64,;.74,-17.67,;1.53,-16.35,;3.07,-16.37,;1.48,-19.01,;3.03,-19.04,;.69,-20.33,;1.44,-21.68,;2.98,-21.71,;3.78,-20.38,;5.31,-20.41,;6.06,-21.76,;6.11,-19.09,;.65,-23,;-.89,-22.97,;1.4,-24.35,;.61,-25.67,;-.93,-25.64,;-1.72,-26.96,;-1.12,-28.38,;-2.28,-29.39,;-3.6,-28.6,;-3.26,-27.1,;1.36,-27.01,;2.9,-27.04,;.57,-28.33,;1.32,-29.68,;.53,-31,;-1.02,-30.97,;2.86,-29.71,;3.64,-28.38,;3.6,-31.05,;5.14,-31.07,;5.89,-32.42,;5.09,-33.74,;5.84,-35.09,;5.05,-36.41,;5.93,-29.76,;5.18,-28.41,;7.48,-29.78,;8.26,-28.46,;7.69,-27.03,;8.73,-25.41,;8.72,-17.1,;7.63,-16.01,;30.7,-17.04,;30.67,-22.24,;29.33,-22.99,;29.3,-24.53,;27.96,-25.28,;27.94,-26.83,;26.59,-27.57,;25.27,-26.78,;25.29,-25.25,;23.93,-27.54,;23.9,-29.08,;25.22,-29.86,;26.63,-29.26,;27.65,-30.42,;26.86,-31.74,;27.32,-33.21,;26.27,-34.34,;24.77,-34,;24.32,-32.53,;25.36,-31.4,;22.6,-26.75,;21.26,-27.5,;21.23,-29.03,;19.93,-26.71,;19.95,-25.17,;21.3,-24.41,;21.33,-22.88,;22.66,-22.13,;22.69,-20.59,;21.37,-19.8,;24.03,-19.84,;18.59,-27.45,;17.26,-26.67,;17.29,-25.13,;15.92,-27.42,;15.9,-28.96,;17.22,-29.75,;18.57,-29,;19.89,-29.79,;19.86,-31.32,;18.52,-32.08,;17.2,-31.29,;14.6,-26.63,;13.26,-27.38,;13.23,-28.92,;11.94,-26.59,;12.04,-25.04,;10.4,-24.68,;9.72,-23.15,;9.55,-26.13,;10.66,-27.4,;9.79,-28.68,;10.46,-30.06,;29.26,-27.62,;30.6,-26.86,;29.23,-29.15,)|
Show InChI InChI=1S/C83H127N21O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-69(109)92-46-71(111)94-65(48-105)79(119)98-60(34-36-68(84)108)75(115)101-64(42-53-45-88-50-93-53)78(118)103-66(49-106)80(120)97-58(29-6-4-2)73(113)99-61-35-37-70(110)89-38-24-23-31-57(72(85)112)95-77(117)63(41-52-44-91-56-30-22-21-28-55(52)56)100-74(114)59(32-25-39-90-83(86)87)96-76(116)62(40-51-26-18-17-19-27-51)102-81(121)67-43-54(107)47-104(67)82(61)122/h17-19,21-22,26-28,30,44-45,50,54,57-67,91,105-107H,3-16,20,23-25,29,31-43,46-49H2,1-2H3,(H2,84,108)(H2,85,112)(H,88,93)(H,89,110)(H,92,109)(H,94,111)(H,95,117)(H,96,116)(H,97,120)(H,98,119)(H,99,113)(H,100,114)(H,101,115)(H,102,121)(H,103,118)(H4,86,87,90)/t54-,57+,58+,59+,60+,61+,62-,63+,64+,65+,66+,67+/m1/s1
UniProtKB/SwissProt

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1.60n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50389783
PNG
(CHEMBL2070245)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:22.21,28.27,63.62,113.121,102.104,91.93,73.125,wD:37.36,49.48,55.54,77.77,115.118,(23.51,-35.85,;21.97,-35.83,;21.23,-34.48,;19.69,-34.45,;18.94,-33.11,;17.4,-33.08,;16.61,-34.4,;15.07,-34.37,;14.28,-35.69,;12.74,-35.66,;11.99,-34.32,;10.45,-34.29,;9.7,-32.94,;8.16,-32.92,;7.37,-34.24,;8.12,-35.58,;9.66,-35.61,;7.32,-36.9,;8.07,-38.25,;9.61,-38.28,;10.4,-36.95,;10.36,-39.62,;11.9,-39.65,;12.69,-38.33,;14.23,-38.35,;12.65,-40.99,;14.19,-41.02,;11.85,-42.31,;12.6,-43.66,;14.15,-43.69,;14.94,-42.36,;16.48,-42.39,;17.22,-43.74,;17.27,-41.07,;11.81,-44.98,;10.28,-44.95,;12.56,-46.33,;11.77,-47.65,;10.23,-47.62,;9.44,-48.94,;7.9,-48.91,;7.11,-50.23,;5.57,-50.2,;4.77,-51.52,;3.23,-51.49,;5.52,-52.87,;12.52,-48.99,;14.06,-49.02,;11.73,-50.31,;12.48,-51.66,;11.69,-52.98,;10.14,-52.95,;14.02,-51.69,;14.81,-50.36,;14.77,-53.03,;16.3,-53.05,;17.05,-54.4,;16.26,-55.72,;17,-57.07,;16.21,-58.39,;17.09,-51.74,;16.35,-50.39,;18.64,-51.76,;19.42,-50.44,;18.85,-49.01,;19.89,-47.39,;19.88,-39.08,;18.79,-37.99,;41.87,-39.02,;41.83,-44.22,;40.49,-44.97,;40.46,-46.51,;39.12,-47.26,;39.1,-48.81,;37.75,-49.55,;36.43,-48.76,;36.45,-47.23,;35.09,-49.52,;35.06,-51.06,;36.38,-51.84,;37.8,-51.24,;38.81,-52.4,;38.02,-53.72,;38.48,-55.19,;37.43,-56.32,;35.93,-55.98,;35.48,-54.51,;36.52,-53.38,;33.76,-48.73,;32.42,-49.48,;32.39,-51.01,;31.09,-48.69,;31.12,-47.15,;32.46,-46.39,;32.49,-44.86,;33.82,-44.11,;33.85,-42.57,;32.53,-41.78,;35.2,-41.82,;29.75,-49.43,;28.43,-48.65,;28.45,-47.11,;27.09,-49.4,;27.06,-50.94,;28.38,-51.73,;29.73,-50.98,;31.05,-51.77,;31.02,-53.3,;29.69,-54.06,;28.36,-53.27,;25.76,-48.61,;24.42,-49.36,;24.39,-50.9,;23.1,-48.57,;23.2,-47.02,;21.56,-46.66,;20.88,-45.13,;20.71,-48.11,;21.82,-49.38,;20.95,-50.66,;21.62,-52.04,;40.42,-49.6,;41.77,-48.84,;40.4,-51.13,)|
Show InChI InChI=1S/C84H134N22O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-36-69(111)95-48-71(113)96-65(50-107)79(121)101-61(37-39-68(85)110)76(118)98-59(34-24-26-42-92-83(87)88)75(117)105-66(51-108)80(122)100-58(31-6-4-2)73(115)102-62-38-40-70(112)91-41-25-23-33-57(72(86)114)97-78(120)64(45-53-47-94-56-32-22-21-30-55(53)56)103-74(116)60(35-27-43-93-84(89)90)99-77(119)63(44-52-28-18-17-19-29-52)104-81(123)67-46-54(109)49-106(67)82(62)124/h17-19,21-22,28-30,32,47,54,57-67,94,107-109H,3-16,20,23-27,31,33-46,48-51H2,1-2H3,(H2,85,110)(H2,86,114)(H,91,112)(H,95,111)(H,96,113)(H,97,120)(H,98,118)(H,99,119)(H,100,122)(H,101,121)(H,102,115)(H,103,116)(H,104,123)(H,105,117)(H4,87,88,92)(H4,89,90,93)/t54-,57+,58+,59+,60+,61+,62+,63-,64+,65+,66+,67+/m1/s1
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2n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50389771
PNG
(CHEMBL2070243)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:28.27,61.61,111.120,100.103,89.92,71.124,22.21,wD:37.36,47.47,53.53,75.76,113.117,(12.35,-13.87,;10.81,-13.85,;10.07,-12.5,;8.53,-12.47,;7.78,-11.13,;6.24,-11.1,;5.45,-12.42,;3.91,-12.39,;3.11,-13.71,;1.58,-13.68,;.83,-12.34,;-.71,-12.31,;-1.46,-10.96,;-3,-10.94,;-3.79,-12.26,;-3.04,-13.6,;-1.5,-13.63,;-3.84,-14.92,;-3.09,-16.27,;-1.55,-16.3,;-.76,-14.97,;-.8,-17.64,;.74,-17.67,;1.53,-16.35,;3.07,-16.37,;1.48,-19.01,;3.03,-19.04,;.69,-20.33,;1.44,-21.68,;2.98,-21.71,;3.78,-20.38,;5.31,-20.41,;6.06,-21.76,;6.11,-19.09,;.65,-23,;-.89,-22.97,;1.4,-24.35,;.61,-25.67,;-.93,-25.64,;-1.72,-26.96,;-1.12,-28.38,;-2.28,-29.39,;-3.6,-28.6,;-3.26,-27.1,;1.36,-27.01,;2.9,-27.04,;.57,-28.33,;1.32,-29.68,;.53,-31,;-1.02,-30.97,;2.86,-29.71,;3.64,-28.38,;3.6,-31.05,;5.14,-31.07,;5.89,-32.42,;5.09,-33.74,;5.84,-35.09,;5.05,-36.41,;5.93,-29.76,;5.18,-28.41,;7.48,-29.78,;8.26,-28.46,;7.69,-27.03,;8.73,-25.41,;8.72,-17.1,;7.63,-16.01,;30.7,-17.04,;30.67,-22.24,;29.33,-22.99,;29.3,-24.53,;27.96,-25.28,;27.94,-26.83,;26.59,-27.57,;25.27,-26.78,;25.29,-25.25,;23.93,-27.54,;23.9,-29.08,;25.22,-29.86,;26.63,-29.26,;27.65,-30.42,;26.86,-31.74,;27.32,-33.21,;26.27,-34.34,;24.77,-34,;24.32,-32.53,;25.36,-31.4,;22.6,-26.75,;21.26,-27.5,;21.23,-29.03,;19.93,-26.71,;19.95,-25.17,;21.3,-24.41,;21.33,-22.88,;22.66,-22.13,;22.69,-20.59,;21.37,-19.8,;24.03,-19.84,;18.59,-27.45,;17.26,-26.67,;17.29,-25.13,;15.92,-27.42,;15.9,-28.96,;17.22,-29.75,;18.57,-29,;19.89,-29.79,;19.86,-31.32,;18.52,-32.08,;17.2,-31.29,;14.6,-26.63,;13.26,-27.38,;13.23,-28.92,;11.94,-26.59,;12.04,-25.04,;10.4,-24.68,;9.72,-23.15,;9.55,-26.13,;10.66,-27.4,;9.79,-28.68,;10.46,-30.06,;29.26,-27.62,;30.6,-26.86,;29.23,-29.15,)|
Show InChI InChI=1S/C83H127N21O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-69(109)92-46-71(111)94-65(48-105)79(119)98-60(34-36-68(84)108)75(115)101-64(42-53-45-88-50-93-53)78(118)103-66(49-106)80(120)97-58(29-6-4-2)73(113)99-61-35-37-70(110)89-38-24-23-31-57(72(85)112)95-77(117)63(41-52-44-91-56-30-22-21-28-55(52)56)100-74(114)59(32-25-39-90-83(86)87)96-76(116)62(40-51-26-18-17-19-27-51)102-81(121)67-43-54(107)47-104(67)82(61)122/h17-19,21-22,26-28,30,44-45,50,54,57-67,91,105-107H,3-16,20,23-25,29,31-43,46-49H2,1-2H3,(H2,84,108)(H2,85,112)(H,88,93)(H,89,110)(H,92,109)(H,94,111)(H,95,117)(H,96,116)(H,97,120)(H,98,119)(H,99,113)(H,100,114)(H,101,115)(H,102,121)(H,103,118)(H4,86,87,90)/t54-,57+,58+,59+,60+,61+,62-,63+,64+,65+,66+,67+/m1/s1
UniProtKB/SwissProt

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2.5n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389780
PNG
(CHEMBL2069317)
Show SMILES CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.38,26.32,78.79,128.138,117.121,106.110,88.142,wD:16.23,8.12,4.4,92.94,130.135,(42.02,-50.97,;42.81,-49.65,;42.06,-48.29,;42.86,-46.97,;42.11,-45.63,;40.57,-45.63,;39.83,-44.24,;40.61,-42.94,;38.28,-44.24,;37.49,-45.55,;38.24,-46.9,;37.44,-48.22,;39.78,-46.9,;37.53,-42.88,;38.33,-41.56,;39.87,-41.56,;37.58,-40.22,;36.04,-40.22,;35.25,-41.51,;35.85,-42.93,;34.69,-43.95,;33.37,-43.16,;33.71,-41.66,;38.37,-38.9,;37.62,-37.55,;36.08,-37.55,;38.41,-36.23,;39.95,-36.23,;40.75,-34.96,;42.28,-34.96,;43.03,-36.31,;43.08,-33.64,;37.66,-34.88,;38.45,-33.56,;39.99,-33.56,;37.71,-32.22,;38.5,-30.9,;40.04,-30.9,;36.16,-32.22,;35.42,-30.85,;36.21,-29.53,;33.88,-30.85,;33.13,-29.47,;33.92,-28.15,;35.46,-28.15,;33.18,-26.81,;33.97,-25.49,;35.51,-25.49,;36.26,-26.86,;37.8,-26.86,;38.54,-28.24,;40.08,-28.24,;40.88,-26.97,;42.42,-26.97,;43.16,-28.32,;43.21,-25.65,;44.75,-25.65,;45.5,-27.03,;47.04,-27.03,;47.78,-28.4,;49.32,-28.4,;50.07,-29.77,;51.61,-29.77,;52.35,-31.15,;53.89,-31.15,;54.69,-29.86,;53.94,-28.51,;54.73,-27.19,;53.99,-25.84,;54.78,-24.52,;54.03,-23.17,;52.5,-22.99,;52.21,-21.48,;53.55,-20.73,;54.69,-21.79,;42.9,-44.31,;42.15,-42.96,;44.45,-44.31,;45.23,-43.02,;44.66,-41.59,;45.69,-39.96,;45.69,-31.65,;44.6,-30.56,;67.64,-31.65,;67.64,-36.79,;66.27,-37.55,;66.27,-39.08,;64.91,-39.84,;64.91,-41.38,;63.56,-42.12,;62.24,-41.33,;62.24,-39.8,;60.89,-42.09,;60.89,-43.63,;62.19,-44.41,;63.6,-43.81,;64.62,-44.97,;63.83,-46.29,;64.29,-47.76,;63.24,-48.89,;61.73,-48.55,;61.29,-47.08,;62.33,-45.95,;59.57,-41.3,;58.23,-42.05,;58.23,-43.59,;56.9,-41.26,;56.9,-39.72,;58.27,-38.97,;58.27,-37.43,;59.66,-36.68,;59.66,-35.14,;58.34,-34.35,;61,-34.39,;55.56,-42.01,;54.23,-41.23,;54.23,-39.68,;52.89,-41.97,;52.89,-43.51,;54.19,-44.3,;55.54,-43.55,;56.86,-44.34,;56.86,-45.88,;55.49,-46.63,;54.19,-45.84,;51.57,-41.18,;50.23,-41.93,;50.23,-43.47,;48.91,-41.14,;49.01,-39.59,;47.36,-39.23,;46.69,-37.7,;46.52,-40.68,;47.63,-41.95,;46.76,-43.23,;47.42,-44.61,;66.23,-42.17,;67.57,-41.42,;66.23,-43.7,)|
Show InChI InChI=1S/C92H143N27O20/c1-4-5-30-65(82(128)109-68-37-39-78(124)98-40-25-24-32-64(81(94)127)105-86(132)70(47-59-50-101-63-31-23-22-29-62(59)63)110-83(129)66(33-26-41-100-92(95)96)106-85(131)69(46-58-27-18-17-19-28-58)112-90(136)74-49-61(121)53-119(74)91(68)137)107-88(134)72(54-118(2)3)113-87(133)71(48-60-51-97-57-103-60)111-84(130)67(36-38-75(93)122)108-89(135)73(55-120)104-79(125)52-102-80(126)56-139-45-44-138-43-42-99-77(123)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-76-114-116-117-115-76/h17-19,22-23,27-29,31,50-51,57,61,64-74,101,120-121H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,93,122)(H2,94,127)(H,97,103)(H,98,124)(H,99,123)(H,102,126)(H,104,125)(H,105,132)(H,106,131)(H,107,134)(H,108,135)(H,109,128)(H,110,129)(H,111,130)(H,112,136)(H,113,133)(H4,95,96,100)(H,114,115,116,117)/t61-,64+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389778
PNG
(CHEMBL2070251)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:81.82,131.141,120.124,109.113,91.145,38.41,29.35,wD:4.4,95.97,133.138,19.26,8.15,(27.51,-14.26,;28.31,-12.94,;27.56,-11.59,;28.36,-10.27,;27.6,-8.92,;26.07,-8.9,;25.32,-7.56,;26.11,-6.23,;23.78,-7.53,;22.99,-8.85,;23.73,-10.19,;22.94,-11.51,;21.4,-11.48,;20.6,-12.8,;19.06,-12.77,;21.35,-14.15,;23.03,-6.18,;23.82,-4.86,;25.36,-4.89,;23.07,-3.52,;21.53,-3.49,;20.74,-4.81,;21.34,-6.23,;20.18,-7.24,;18.86,-6.45,;19.21,-4.95,;23.86,-2.2,;23.11,-.84,;21.58,-.82,;23.9,.47,;25.45,.44,;26.24,1.77,;27.78,1.74,;28.52,.4,;28.57,3.06,;23.16,1.82,;23.95,3.14,;25.49,3.11,;23.2,4.48,;23.99,5.81,;25.53,5.78,;21.66,4.51,;20.91,5.86,;21.7,7.18,;19.37,5.88,;18.62,7.23,;19.42,8.56,;20.96,8.53,;18.67,9.91,;19.47,11.23,;21.01,11.2,;21.75,9.85,;23.29,9.82,;24.04,8.47,;25.58,8.45,;26.37,9.76,;27.91,9.74,;28.66,8.4,;28.7,11.07,;30.24,11.03,;30.99,9.69,;32.53,9.65,;33.28,8.31,;34.82,8.29,;35.56,6.93,;37.1,6.9,;37.85,5.56,;39.39,5.53,;40.18,6.85,;39.44,8.2,;40.23,9.53,;39.48,10.87,;40.28,12.19,;39.53,13.54,;37.99,13.72,;37.71,15.22,;39.04,15.98,;40.18,14.92,;28.4,-7.61,;27.65,-6.26,;29.94,-7.63,;30.73,-6.31,;30.15,-4.88,;31.2,-3.25,;31.18,5.06,;30.09,6.14,;53.17,5.11,;53.13,-.09,;51.79,-.84,;51.76,-2.38,;50.42,-3.13,;50.4,-4.67,;49.05,-5.42,;47.73,-4.63,;47.75,-3.1,;46.39,-5.38,;46.36,-6.93,;47.68,-7.71,;49.1,-7.11,;50.12,-8.26,;49.33,-9.59,;49.78,-11.06,;48.73,-12.19,;47.23,-11.85,;46.78,-10.38,;47.82,-9.25,;45.06,-4.6,;43.72,-5.35,;43.7,-6.88,;42.39,-4.56,;42.42,-3.02,;43.76,-2.26,;43.79,-.73,;45.13,.02,;45.15,1.56,;43.83,2.35,;46.5,2.31,;41.05,-5.3,;39.73,-4.52,;39.75,-2.98,;38.39,-5.27,;38.36,-6.81,;39.68,-7.6,;41.03,-6.85,;42.35,-7.64,;42.32,-9.17,;40.99,-9.92,;39.67,-9.13,;37.07,-4.48,;35.72,-5.23,;35.69,-6.77,;34.4,-4.44,;34.5,-2.89,;32.86,-2.53,;32.18,-1,;32.01,-3.98,;33.12,-5.25,;32.26,-6.52,;32.92,-7.91,;51.72,-5.46,;53.07,-4.71,;51.7,-7,)|
Show InChI InChI=1S/C93H145N29O20/c1-2-3-29-65(83(132)114-69-37-39-78(127)101-40-23-22-31-64(81(95)130)109-87(136)71(48-59-51-105-63-30-21-20-28-62(59)63)115-84(133)67(33-25-42-104-93(98)99)111-86(135)70(47-58-26-16-15-17-27-58)117-90(139)74-50-61(124)54-122(74)91(69)140)110-82(131)66(32-24-41-103-92(96)97)112-88(137)72(49-60-52-100-57-107-60)116-85(134)68(36-38-75(94)125)113-89(138)73(55-123)108-79(128)53-106-80(129)56-142-46-45-141-44-43-102-77(126)35-19-14-12-10-8-6-4-5-7-9-11-13-18-34-76-118-120-121-119-76/h15-17,20-21,26-28,30,51-52,57,61,64-74,105,123-124H,2-14,18-19,22-25,29,31-50,53-56H2,1H3,(H2,94,125)(H2,95,130)(H,100,107)(H,101,127)(H,102,126)(H,106,129)(H,108,128)(H,109,136)(H,110,131)(H,111,135)(H,112,137)(H,113,138)(H,114,132)(H,115,133)(H,116,134)(H,117,139)(H4,96,97,103)(H4,98,99,104)(H,118,119,120,121)/t61-,64+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+/m1/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389775
PNG
(CHEMBL2070248)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:46.45,96.104,85.87,74.76,56.108,wD:38.37,60.60,98.101,(3.21,-29.61,;1.67,-29.58,;.93,-28.23,;-.61,-28.21,;-1.36,-26.86,;-2.9,-26.83,;-3.69,-28.15,;-5.23,-28.13,;-6.02,-29.45,;-7.56,-29.42,;-8.31,-28.07,;-9.85,-28.04,;-10.6,-26.7,;-12.15,-26.67,;-12.94,-27.99,;-12.19,-29.34,;-10.64,-29.36,;-12.99,-30.66,;-12.24,-32,;-10.69,-32.03,;-9.9,-30.71,;-9.94,-33.38,;-8.4,-33.4,;-7.65,-34.74,;-6.11,-34.77,;-8.45,-36.07,;-7.7,-37.42,;-8.49,-38.73,;-10.02,-38.7,;-7.74,-40.08,;-8.53,-41.4,;-7.78,-42.75,;-6.24,-42.77,;-8.57,-44.07,;-7.82,-45.42,;-6.28,-45.44,;-5.49,-44.12,;-5.53,-46.78,;-4,-46.81,;-3.25,-48.16,;-4.04,-49.48,;-3.3,-50.83,;-4.09,-52.15,;-3.21,-45.49,;-3.95,-44.15,;-1.66,-45.52,;-.88,-44.2,;-1.45,-42.77,;-.41,-41.14,;-.42,-32.83,;-1.51,-31.74,;21.57,-32.78,;21.53,-37.98,;20.19,-38.73,;20.16,-40.27,;18.82,-41.02,;18.8,-42.56,;17.45,-43.31,;16.13,-42.52,;16.15,-40.98,;14.79,-43.27,;14.76,-44.81,;16.08,-45.6,;17.5,-44.99,;18.51,-46.15,;17.72,-47.47,;18.18,-48.94,;17.13,-50.07,;15.63,-49.74,;15.18,-48.26,;16.22,-47.13,;13.46,-42.48,;12.12,-43.23,;12.09,-44.77,;10.79,-42.45,;10.82,-40.9,;12.16,-40.15,;12.19,-38.61,;13.52,-37.86,;13.55,-36.32,;12.23,-35.53,;14.9,-35.57,;9.45,-43.19,;8.13,-42.41,;8.15,-40.86,;6.79,-43.15,;6.76,-44.7,;8.08,-45.49,;9.43,-44.73,;10.75,-45.52,;10.72,-47.06,;9.39,-47.81,;8.06,-47.02,;5.46,-42.36,;4.12,-43.12,;4.09,-44.65,;2.8,-42.33,;2.9,-40.77,;1.26,-40.42,;.58,-38.88,;.41,-41.86,;1.52,-43.13,;.65,-44.41,;1.32,-45.79,;20.12,-43.35,;21.47,-42.6,;20.1,-44.89,)|
Show InChI InChI=1S/C74H114N18O15/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-60(94)81-42-62(96)82-43-63(97)83-44-64(98)84-45-65(99)85-46-66(100)86-54(29-6-4-2)68(102)89-56-34-35-61(95)78-36-24-23-31-53(67(75)101)87-71(105)58(39-49-41-80-52-30-22-21-28-51(49)52)90-69(103)55(32-25-37-79-74(76)77)88-70(104)57(38-48-26-18-17-19-27-48)91-72(106)59-40-50(93)47-92(59)73(56)107/h17-19,21-22,26-28,30,41,50,53-59,80,93H,3-16,20,23-25,29,31-40,42-47H2,1-2H3,(H2,75,101)(H,78,95)(H,81,94)(H,82,96)(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,105)(H,88,104)(H,89,102)(H,90,103)(H,91,106)(H4,76,77,79)/t50-,53+,54+,55+,56+,57-,58+,59+/m1/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
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UniChem
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3n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50389783
PNG
(CHEMBL2070245)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:22.21,28.27,63.62,113.121,102.104,91.93,73.125,wD:37.36,49.48,55.54,77.77,115.118,(23.51,-35.85,;21.97,-35.83,;21.23,-34.48,;19.69,-34.45,;18.94,-33.11,;17.4,-33.08,;16.61,-34.4,;15.07,-34.37,;14.28,-35.69,;12.74,-35.66,;11.99,-34.32,;10.45,-34.29,;9.7,-32.94,;8.16,-32.92,;7.37,-34.24,;8.12,-35.58,;9.66,-35.61,;7.32,-36.9,;8.07,-38.25,;9.61,-38.28,;10.4,-36.95,;10.36,-39.62,;11.9,-39.65,;12.69,-38.33,;14.23,-38.35,;12.65,-40.99,;14.19,-41.02,;11.85,-42.31,;12.6,-43.66,;14.15,-43.69,;14.94,-42.36,;16.48,-42.39,;17.22,-43.74,;17.27,-41.07,;11.81,-44.98,;10.28,-44.95,;12.56,-46.33,;11.77,-47.65,;10.23,-47.62,;9.44,-48.94,;7.9,-48.91,;7.11,-50.23,;5.57,-50.2,;4.77,-51.52,;3.23,-51.49,;5.52,-52.87,;12.52,-48.99,;14.06,-49.02,;11.73,-50.31,;12.48,-51.66,;11.69,-52.98,;10.14,-52.95,;14.02,-51.69,;14.81,-50.36,;14.77,-53.03,;16.3,-53.05,;17.05,-54.4,;16.26,-55.72,;17,-57.07,;16.21,-58.39,;17.09,-51.74,;16.35,-50.39,;18.64,-51.76,;19.42,-50.44,;18.85,-49.01,;19.89,-47.39,;19.88,-39.08,;18.79,-37.99,;41.87,-39.02,;41.83,-44.22,;40.49,-44.97,;40.46,-46.51,;39.12,-47.26,;39.1,-48.81,;37.75,-49.55,;36.43,-48.76,;36.45,-47.23,;35.09,-49.52,;35.06,-51.06,;36.38,-51.84,;37.8,-51.24,;38.81,-52.4,;38.02,-53.72,;38.48,-55.19,;37.43,-56.32,;35.93,-55.98,;35.48,-54.51,;36.52,-53.38,;33.76,-48.73,;32.42,-49.48,;32.39,-51.01,;31.09,-48.69,;31.12,-47.15,;32.46,-46.39,;32.49,-44.86,;33.82,-44.11,;33.85,-42.57,;32.53,-41.78,;35.2,-41.82,;29.75,-49.43,;28.43,-48.65,;28.45,-47.11,;27.09,-49.4,;27.06,-50.94,;28.38,-51.73,;29.73,-50.98,;31.05,-51.77,;31.02,-53.3,;29.69,-54.06,;28.36,-53.27,;25.76,-48.61,;24.42,-49.36,;24.39,-50.9,;23.1,-48.57,;23.2,-47.02,;21.56,-46.66,;20.88,-45.13,;20.71,-48.11,;21.82,-49.38,;20.95,-50.66,;21.62,-52.04,;40.42,-49.6,;41.77,-48.84,;40.4,-51.13,)|
Show InChI InChI=1S/C84H134N22O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-36-69(111)95-48-71(113)96-65(50-107)79(121)101-61(37-39-68(85)110)76(118)98-59(34-24-26-42-92-83(87)88)75(117)105-66(51-108)80(122)100-58(31-6-4-2)73(115)102-62-38-40-70(112)91-41-25-23-33-57(72(86)114)97-78(120)64(45-53-47-94-56-32-22-21-30-55(53)56)103-74(116)60(35-27-43-93-84(89)90)99-77(119)63(44-52-28-18-17-19-29-52)104-81(123)67-46-54(109)49-106(67)82(62)124/h17-19,21-22,28-30,32,47,54,57-67,94,107-109H,3-16,20,23-27,31,33-46,48-51H2,1-2H3,(H2,85,110)(H2,86,114)(H,91,112)(H,95,111)(H,96,113)(H,97,120)(H,98,118)(H,99,119)(H,100,122)(H,101,121)(H,102,115)(H,103,116)(H,104,123)(H,105,117)(H4,87,88,92)(H4,89,90,93)/t54-,57+,58+,59+,60+,61+,62+,63-,64+,65+,66+,67+/m1/s1
KEGG

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antibodypedia
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PC sid
UniChem
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389779
PNG
(CHEMBL2070252)
Show SMILES CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:36.39,27.33,79.80,129.139,118.122,107.111,89.143,wD:17.24,8.13,4.4,93.95,131.136,(5.52,-51.26,;6.31,-49.94,;5.56,-48.59,;6.36,-47.27,;5.61,-45.92,;4.07,-45.92,;3.33,-44.53,;4.11,-43.23,;1.78,-44.53,;.99,-45.84,;1.74,-47.19,;.94,-48.51,;1.69,-49.86,;-.6,-48.51,;1.03,-43.18,;1.82,-41.86,;3.37,-41.86,;1.08,-40.52,;-.47,-40.52,;-1.26,-41.81,;-.65,-43.23,;-1.81,-44.24,;-3.15,-43.45,;-2.79,-41.95,;1.87,-39.19,;1.12,-37.84,;-.42,-37.84,;1.91,-36.53,;3.45,-36.53,;4.24,-35.26,;5.78,-35.26,;6.53,-36.6,;6.58,-33.94,;1.16,-35.18,;1.95,-33.86,;3.49,-33.86,;1.2,-32.52,;2,-31.19,;3.53,-31.19,;-.35,-32.52,;-1.09,-31.14,;-.3,-29.82,;-2.63,-31.14,;-3.38,-29.77,;-2.59,-28.45,;-1.05,-28.45,;-3.33,-27.1,;-2.54,-25.78,;-1,-25.78,;-.25,-27.16,;1.3,-27.16,;2.04,-28.53,;3.58,-28.53,;4.38,-27.27,;5.91,-27.27,;6.66,-28.61,;6.71,-25.95,;8.25,-25.95,;8.99,-27.32,;10.53,-27.32,;11.28,-28.69,;12.82,-28.69,;13.57,-30.07,;15.11,-30.07,;15.85,-31.44,;17.39,-31.44,;18.19,-30.15,;17.44,-28.8,;18.23,-27.48,;17.49,-26.14,;18.28,-24.82,;17.53,-23.47,;15.99,-23.28,;15.71,-21.78,;17.04,-21.02,;18.19,-22.08,;6.4,-44.6,;5.65,-43.26,;7.94,-44.6,;8.73,-43.31,;8.16,-41.88,;9.19,-40.25,;9.19,-31.94,;8.09,-30.86,;31.14,-31.94,;31.14,-37.09,;29.77,-37.84,;29.77,-39.38,;28.41,-40.13,;28.41,-41.67,;27.06,-42.42,;25.74,-41.63,;25.74,-40.1,;24.39,-42.38,;24.39,-43.93,;25.69,-44.71,;27.1,-44.11,;28.12,-45.26,;27.33,-46.58,;27.79,-48.06,;26.74,-49.19,;25.23,-48.85,;24.79,-47.38,;25.83,-46.25,;23.06,-41.6,;21.73,-42.35,;21.73,-43.88,;20.4,-41.56,;20.4,-40.01,;21.77,-39.26,;21.77,-37.73,;23.16,-36.97,;23.16,-35.44,;21.84,-34.65,;24.5,-34.68,;19.06,-42.3,;17.73,-41.52,;17.73,-39.98,;16.39,-42.27,;16.39,-43.81,;17.69,-44.6,;19.03,-43.85,;20.36,-44.64,;20.36,-46.17,;18.99,-46.92,;17.69,-46.13,;15.07,-41.48,;13.73,-42.23,;13.73,-43.76,;12.4,-41.44,;12.51,-39.88,;10.86,-39.53,;10.19,-38,;10.02,-40.97,;11.13,-42.24,;10.26,-43.52,;10.92,-44.91,;29.73,-42.46,;31.07,-41.71,;29.73,-44,)|
Show InChI InChI=1S/C93H145N27O20/c1-4-5-30-66(83(129)111-69-37-39-79(125)99-40-25-24-32-65(82(95)128)107-87(133)71(47-60-50-103-64-31-23-22-29-63(60)64)112-84(130)67(33-26-41-101-93(96)97)108-86(132)70(46-59-27-18-17-19-28-59)114-91(137)75-49-62(122)54-120(75)92(69)138)109-89(135)73(52-102-58(2)3)115-88(134)72(48-61-51-98-57-105-61)113-85(131)68(36-38-76(94)123)110-90(136)74(55-121)106-80(126)53-104-81(127)56-140-45-44-139-43-42-100-78(124)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-77-116-118-119-117-77/h17-19,22-23,27-29,31,50-51,57-58,62,65-75,102-103,121-122H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,94,123)(H2,95,128)(H,98,105)(H,99,125)(H,100,124)(H,104,127)(H,106,126)(H,107,133)(H,108,132)(H,109,135)(H,110,136)(H,111,129)(H,112,130)(H,113,131)(H,114,137)(H,115,134)(H4,96,97,101)(H,116,117,118,119)/t62-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389772
PNG
(CHEMBL2070244)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.37,26.31,49.48,99.107,88.90,77.79,59.111,wD:14.22,8.10,4.4,63.63,101.104,(9.16,-60.72,;9.95,-59.4,;9.2,-58.05,;10,-56.73,;9.25,-55.38,;7.71,-55.36,;6.96,-54.02,;7.75,-52.69,;5.42,-53.99,;4.63,-55.3,;3.09,-55.28,;4.67,-52.64,;5.46,-51.32,;7.01,-51.35,;4.72,-49.98,;3.18,-49.95,;2.38,-51.27,;.85,-51.24,;.05,-52.56,;-1.49,-52.53,;-2.28,-53.85,;-3.82,-53.82,;-1.54,-55.2,;5.51,-48.66,;4.76,-47.3,;3.22,-47.28,;5.55,-45.99,;7.09,-46.02,;7.88,-44.69,;9.42,-44.72,;10.17,-46.06,;10.21,-43.4,;4.8,-44.64,;5.59,-43.32,;7.13,-43.34,;4.84,-41.98,;5.64,-40.65,;7.17,-40.68,;3.3,-41.95,;2.56,-40.6,;3.35,-39.28,;1.02,-40.58,;.27,-39.23,;1.06,-37.91,;.32,-36.56,;2.6,-37.94,;10.04,-54.06,;9.29,-52.72,;11.58,-54.09,;12.37,-52.77,;11.79,-51.34,;12.84,-49.71,;12.82,-41.4,;11.73,-40.32,;34.81,-41.35,;34.78,-46.55,;33.43,-47.3,;33.4,-48.84,;32.06,-49.59,;32.04,-51.13,;30.7,-51.88,;29.37,-51.09,;29.39,-49.56,;28.03,-51.84,;28.01,-53.39,;29.32,-54.17,;30.74,-53.57,;31.76,-54.72,;30.97,-56.04,;31.42,-57.51,;30.37,-58.65,;28.87,-58.31,;28.42,-56.84,;29.46,-55.71,;26.7,-51.06,;25.36,-51.81,;25.34,-53.34,;24.04,-51.02,;24.06,-49.48,;25.4,-48.72,;25.43,-47.19,;26.77,-46.43,;26.79,-44.9,;25.47,-44.11,;28.14,-44.15,;22.7,-51.76,;21.37,-50.98,;21.39,-49.44,;20.03,-51.73,;20.01,-53.27,;21.33,-54.06,;22.67,-53.31,;23.99,-54.1,;23.97,-55.63,;22.63,-56.38,;21.31,-55.59,;18.71,-50.94,;17.36,-51.69,;17.34,-53.22,;16.04,-50.9,;16.15,-49.34,;14.5,-48.99,;13.83,-47.46,;13.66,-50.43,;14.76,-51.7,;13.9,-52.98,;14.56,-54.37,;33.36,-51.92,;34.71,-51.17,;33.34,-53.46,)|
Show InChI InChI=1S/C70H106N22O18/c1-3-4-18-45(86-66(108)53(37-94)91-61(103)46(21-11-13-28-78-69(73)74)84-62(104)48(23-25-55(71)97)87-65(107)52(36-93)82-57(99)34-80-38(2)95)59(101)88-49-24-26-56(98)77-27-12-10-20-44(58(72)100)83-64(106)51(31-40-33-81-43-19-9-8-17-42(40)43)89-60(102)47(22-14-29-79-70(75)76)85-63(105)50(30-39-15-6-5-7-16-39)90-67(109)54-32-41(96)35-92(54)68(49)110/h5-9,15-17,19,33,41,44-54,81,93-94,96H,3-4,10-14,18,20-32,34-37H2,1-2H3,(H2,71,97)(H2,72,100)(H,77,98)(H,80,95)(H,82,99)(H,83,106)(H,84,104)(H,85,105)(H,86,108)(H,87,107)(H,88,101)(H,89,102)(H,90,109)(H,91,103)(H4,73,74,78)(H4,75,76,79)/t41-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54+/m1/s1
UniProtKB/SwissProt

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4.30n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389770
PNG
(CHEMBL2070242)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:33.36,24.30,47.47,97.106,86.89,75.78,57.110,wD:14.21,8.10,4.4,61.62,99.103,(4.15,-11.82,;4.94,-10.5,;4.19,-9.15,;4.99,-7.83,;4.23,-6.48,;2.7,-6.46,;1.96,-5.12,;2.74,-3.8,;.41,-5.09,;-.38,-6.41,;-1.92,-6.38,;-.34,-3.74,;.46,-2.42,;2,-2.45,;-.29,-1.08,;-1.83,-1.06,;-2.62,-2.37,;-2.02,-3.79,;-3.18,-4.8,;-4.5,-4.01,;-4.16,-2.52,;.5,.24,;-.25,1.59,;-1.79,1.61,;.54,2.9,;2.08,2.88,;2.87,4.2,;4.41,4.17,;5.16,2.83,;5.2,5.49,;-.21,4.25,;.58,5.57,;2.12,5.55,;-.16,6.91,;.63,8.24,;2.16,8.22,;-1.7,6.94,;-2.45,8.29,;-1.66,9.61,;-3.99,8.32,;-4.74,9.67,;-3.94,10.99,;-4.69,12.33,;-2.4,10.95,;5.03,-5.17,;4.28,-3.82,;6.57,-5.19,;7.36,-3.88,;6.78,-2.45,;7.83,-.82,;7.81,7.48,;6.72,8.58,;29.78,7.54,;29.75,2.34,;28.41,1.59,;28.38,.05,;27.04,-.7,;27.02,-2.24,;25.67,-2.98,;24.35,-2.19,;24.37,-.66,;23.01,-2.95,;22.98,-4.49,;24.3,-5.27,;25.72,-4.67,;26.73,-5.83,;25.94,-7.15,;26.4,-8.62,;25.35,-9.75,;23.85,-9.41,;23.4,-7.94,;24.44,-6.81,;21.68,-2.16,;20.34,-2.91,;20.32,-4.45,;19.02,-2.12,;19.04,-.58,;20.38,.17,;20.41,1.71,;21.75,2.46,;21.77,3.99,;20.45,4.78,;23.12,4.75,;17.68,-2.87,;16.35,-2.09,;16.38,-.54,;15.01,-2.83,;14.99,-4.37,;16.31,-5.16,;17.65,-4.41,;18.97,-5.2,;18.95,-6.73,;17.61,-7.48,;16.29,-6.7,;13.69,-2.04,;12.35,-2.79,;12.32,-4.33,;11.03,-2,;11.13,-.45,;9.49,-.1,;8.81,1.43,;8.64,-1.54,;9.75,-2.81,;8.89,-4.09,;9.55,-5.47,;28.34,-3.03,;29.68,-2.28,;28.31,-4.56,)|
Show InChI InChI=1S/C69H99N21O18/c1-3-4-16-45(83-66(106)53(35-92)89-64(104)51(28-40-31-74-36-79-40)87-61(101)47(20-22-55(70)95)84-65(105)52(34-91)80-57(97)32-77-37(2)93)59(99)85-48-21-23-56(96)75-24-11-10-18-44(58(71)98)81-63(103)50(27-39-30-78-43-17-9-8-15-42(39)43)86-60(100)46(19-12-25-76-69(72)73)82-62(102)49(26-38-13-6-5-7-14-38)88-67(107)54-29-41(94)33-90(54)68(48)108/h5-9,13-15,17,30-31,36,41,44-54,78,91-92,94H,3-4,10-12,16,18-29,32-35H2,1-2H3,(H2,70,95)(H2,71,98)(H,74,79)(H,75,96)(H,77,93)(H,80,97)(H,81,103)(H,82,102)(H,83,106)(H,84,105)(H,85,99)(H,86,100)(H,87,101)(H,88,107)(H,89,104)(H4,72,73,76)/t41-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
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UniChem
Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389770
PNG
(CHEMBL2070242)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:33.36,24.30,47.47,97.106,86.89,75.78,57.110,wD:14.21,8.10,4.4,61.62,99.103,(4.15,-11.82,;4.94,-10.5,;4.19,-9.15,;4.99,-7.83,;4.23,-6.48,;2.7,-6.46,;1.96,-5.12,;2.74,-3.8,;.41,-5.09,;-.38,-6.41,;-1.92,-6.38,;-.34,-3.74,;.46,-2.42,;2,-2.45,;-.29,-1.08,;-1.83,-1.06,;-2.62,-2.37,;-2.02,-3.79,;-3.18,-4.8,;-4.5,-4.01,;-4.16,-2.52,;.5,.24,;-.25,1.59,;-1.79,1.61,;.54,2.9,;2.08,2.88,;2.87,4.2,;4.41,4.17,;5.16,2.83,;5.2,5.49,;-.21,4.25,;.58,5.57,;2.12,5.55,;-.16,6.91,;.63,8.24,;2.16,8.22,;-1.7,6.94,;-2.45,8.29,;-1.66,9.61,;-3.99,8.32,;-4.74,9.67,;-3.94,10.99,;-4.69,12.33,;-2.4,10.95,;5.03,-5.17,;4.28,-3.82,;6.57,-5.19,;7.36,-3.88,;6.78,-2.45,;7.83,-.82,;7.81,7.48,;6.72,8.58,;29.78,7.54,;29.75,2.34,;28.41,1.59,;28.38,.05,;27.04,-.7,;27.02,-2.24,;25.67,-2.98,;24.35,-2.19,;24.37,-.66,;23.01,-2.95,;22.98,-4.49,;24.3,-5.27,;25.72,-4.67,;26.73,-5.83,;25.94,-7.15,;26.4,-8.62,;25.35,-9.75,;23.85,-9.41,;23.4,-7.94,;24.44,-6.81,;21.68,-2.16,;20.34,-2.91,;20.32,-4.45,;19.02,-2.12,;19.04,-.58,;20.38,.17,;20.41,1.71,;21.75,2.46,;21.77,3.99,;20.45,4.78,;23.12,4.75,;17.68,-2.87,;16.35,-2.09,;16.38,-.54,;15.01,-2.83,;14.99,-4.37,;16.31,-5.16,;17.65,-4.41,;18.97,-5.2,;18.95,-6.73,;17.61,-7.48,;16.29,-6.7,;13.69,-2.04,;12.35,-2.79,;12.32,-4.33,;11.03,-2,;11.13,-.45,;9.49,-.1,;8.81,1.43,;8.64,-1.54,;9.75,-2.81,;8.89,-4.09,;9.55,-5.47,;28.34,-3.03,;29.68,-2.28,;28.31,-4.56,)|
Show InChI InChI=1S/C69H99N21O18/c1-3-4-16-45(83-66(106)53(35-92)89-64(104)51(28-40-31-74-36-79-40)87-61(101)47(20-22-55(70)95)84-65(105)52(34-91)80-57(97)32-77-37(2)93)59(99)85-48-21-23-56(96)75-24-11-10-18-44(58(71)98)81-63(103)50(27-39-30-78-43-17-9-8-15-42(39)43)86-60(100)46(19-12-25-76-69(72)73)82-62(102)49(26-38-13-6-5-7-14-38)88-67(107)54-29-41(94)33-90(54)68(48)108/h5-9,13-15,17,30-31,36,41,44-54,78,91-92,94H,3-4,10-12,16,18-29,32-35H2,1-2H3,(H2,70,95)(H2,71,98)(H,74,79)(H,75,96)(H,77,93)(H,80,97)(H,81,103)(H,82,102)(H,83,106)(H,84,105)(H,85,99)(H,86,100)(H,87,101)(H,88,107)(H,89,104)(H4,72,73,76)/t41-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+/m1/s1
UniProtKB/SwissProt

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5.10n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50389769
PNG
(BREMELANOTIDE)
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(O)=O |r,wU:61.64,50.52,39.41,25.25,4.4,wD:12.11,21.75,(-11.27,-.98,;-11.98,-2.34,;-11.15,-3.64,;-9.61,-3.57,;-8.78,-4.87,;-9.49,-6.24,;-11.03,-6.31,;-11.73,-7.67,;-11.86,-5.01,;-7.24,-4.8,;-6.41,-6.1,;-6.53,-3.43,;-4.99,-3.36,;-4.15,-4.65,;-4.16,-6.3,;-5.38,-7.46,;9.13,-7.95,;9.83,-6.57,;8.99,-5.29,;9.68,-3.91,;8.85,-2.63,;9.54,-1.25,;8.7,.04,;7.17,-.04,;6.47,-1.42,;6.33,1.25,;7.03,2.62,;8.56,2.7,;9.53,1.55,;10.96,2.1,;10.89,3.65,;11.98,4.73,;11.57,6.22,;10.08,6.61,;9,5.52,;9.4,4.04,;4.79,1.16,;3.95,2.46,;4.65,3.83,;2.41,2.38,;1.57,3.67,;2.27,5.04,;3.81,5.12,;4.51,6.49,;6.04,6.57,;6.88,5.28,;6.74,7.95,;1.71,1,;.18,.92,;-.66,2.21,;-.52,-.45,;.32,-1.74,;1.86,-1.66,;2.69,-2.95,;4.24,-2.86,;4.93,-1.49,;4.09,-.2,;2.55,-.28,;-2.06,-.53,;-2.9,.76,;-2.2,2.13,;-4.44,.67,;-5.28,1.97,;-4.58,3.34,;-5.29,4.71,;-4.2,5.81,;-2.82,5.1,;-3.06,3.57,;-5.14,-.69,;-4.3,-1.99,;-2.76,-1.9,;11.08,-1.17,;11.92,-2.46,;11.78,.2,)|
Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
KEGG

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UniChem
Article
PubMed
6.40n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389785
PNG
(CHEMBL2070373)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:36.42,27.33,82.83,132.142,121.125,110.114,92.146,wD:17.24,8.13,4.4,96.98,134.139,(7.36,-58.21,;8.15,-56.89,;7.4,-55.54,;8.2,-54.22,;7.45,-52.88,;5.91,-52.88,;5.17,-51.48,;5.95,-50.19,;3.63,-51.48,;2.84,-52.8,;3.58,-54.15,;2.79,-55.46,;1.25,-55.46,;3.53,-56.82,;2.88,-50.13,;3.67,-48.81,;5.21,-48.81,;2.92,-47.47,;1.38,-47.47,;.59,-48.76,;-.95,-48.9,;-1.29,-50.4,;.03,-51.2,;1.19,-50.19,;3.71,-46.15,;2.96,-44.8,;1.42,-44.8,;3.75,-43.48,;5.29,-43.48,;6.09,-42.21,;7.62,-42.21,;8.37,-43.56,;8.42,-40.89,;3,-42.13,;3.79,-40.81,;5.34,-40.81,;3.05,-39.47,;3.84,-38.15,;5.38,-38.15,;6.17,-36.85,;7.71,-36.85,;4.83,-36.07,;1.51,-39.47,;.76,-38.1,;1.55,-36.77,;-.79,-38.1,;-1.54,-36.72,;-.74,-35.4,;.81,-35.4,;-1.49,-34.06,;-.7,-32.74,;.85,-32.74,;1.6,-34.11,;3.14,-34.11,;3.89,-35.49,;5.42,-35.49,;6.22,-34.22,;7.76,-34.22,;8.5,-35.57,;8.55,-32.9,;10.09,-32.9,;10.84,-34.27,;12.38,-34.27,;13.12,-35.65,;14.66,-35.65,;15.41,-37.02,;16.95,-37.02,;17.7,-38.4,;19.24,-38.4,;20.03,-37.1,;19.28,-35.76,;20.08,-34.44,;19.33,-33.09,;20.12,-31.77,;19.38,-30.42,;17.84,-30.24,;17.55,-28.73,;18.89,-27.98,;20.03,-29.04,;8.24,-51.56,;7.49,-50.21,;9.79,-51.56,;10.57,-50.27,;10,-48.84,;11.03,-47.21,;11.03,-38.9,;9.94,-37.81,;32.98,-38.9,;32.98,-44.04,;31.61,-44.8,;31.61,-46.33,;30.25,-47.09,;30.25,-48.63,;28.9,-49.37,;27.58,-48.58,;27.58,-47.05,;26.24,-49.34,;26.24,-50.88,;27.53,-51.66,;28.94,-51.06,;29.96,-52.22,;29.17,-53.54,;29.63,-55.01,;28.58,-56.14,;27.08,-55.8,;26.63,-54.33,;27.67,-53.2,;24.91,-48.55,;23.57,-49.3,;23.57,-50.84,;22.24,-48.51,;22.24,-46.97,;23.61,-46.21,;23.61,-44.68,;25,-43.93,;25,-42.39,;23.68,-41.6,;26.34,-41.64,;20.9,-49.26,;19.57,-48.48,;19.57,-46.93,;18.23,-49.22,;18.23,-50.76,;19.53,-51.55,;20.88,-50.8,;22.2,-51.59,;22.2,-53.13,;20.83,-53.88,;19.53,-53.09,;16.91,-48.43,;15.57,-49.18,;15.57,-50.72,;14.25,-48.39,;14.35,-46.84,;12.71,-46.48,;12.03,-44.95,;11.86,-47.93,;12.97,-49.2,;12.1,-50.48,;12.77,-51.86,;31.57,-49.42,;32.91,-48.66,;31.57,-50.95,)|
Show InChI InChI=1S/C94H141N25O24/c1-2-3-28-65(84(132)111-70-34-38-77(122)99-42-23-22-30-64(83(95)131)106-90(138)72(49-59-52-102-63-29-21-20-27-62(59)63)112-85(133)66(31-24-43-101-94(96)97)108-89(137)71(48-58-25-16-15-17-26-58)114-92(140)74-51-61(120)55-119(74)93(70)141)107-87(135)68(36-40-81(127)128)110-91(139)73(50-60-53-98-57-104-60)113-88(136)69(37-41-82(129)130)109-86(134)67(35-39-80(125)126)105-78(123)54-103-79(124)56-143-47-46-142-45-44-100-76(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-75-115-117-118-116-75/h15-17,20-21,25-27,29,52-53,57,61,64-74,102,120H,2-14,18-19,22-24,28,30-51,54-56H2,1H3,(H2,95,131)(H,98,104)(H,99,122)(H,100,121)(H,103,124)(H,105,123)(H,106,138)(H,107,135)(H,108,137)(H,109,134)(H,110,139)(H,111,132)(H,112,133)(H,113,136)(H,114,140)(H,125,126)(H,127,128)(H,129,130)(H4,96,97,101)(H,115,116,117,118)/t61-,64+,65+,66+,67+,68+,69+,70+,71-,72+,73+,74+/m1/s1
KEGG

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UniChem
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7.80n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50389771
PNG
(CHEMBL2070243)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:28.27,61.61,111.120,100.103,89.92,71.124,22.21,wD:37.36,47.47,53.53,75.76,113.117,(12.35,-13.87,;10.81,-13.85,;10.07,-12.5,;8.53,-12.47,;7.78,-11.13,;6.24,-11.1,;5.45,-12.42,;3.91,-12.39,;3.11,-13.71,;1.58,-13.68,;.83,-12.34,;-.71,-12.31,;-1.46,-10.96,;-3,-10.94,;-3.79,-12.26,;-3.04,-13.6,;-1.5,-13.63,;-3.84,-14.92,;-3.09,-16.27,;-1.55,-16.3,;-.76,-14.97,;-.8,-17.64,;.74,-17.67,;1.53,-16.35,;3.07,-16.37,;1.48,-19.01,;3.03,-19.04,;.69,-20.33,;1.44,-21.68,;2.98,-21.71,;3.78,-20.38,;5.31,-20.41,;6.06,-21.76,;6.11,-19.09,;.65,-23,;-.89,-22.97,;1.4,-24.35,;.61,-25.67,;-.93,-25.64,;-1.72,-26.96,;-1.12,-28.38,;-2.28,-29.39,;-3.6,-28.6,;-3.26,-27.1,;1.36,-27.01,;2.9,-27.04,;.57,-28.33,;1.32,-29.68,;.53,-31,;-1.02,-30.97,;2.86,-29.71,;3.64,-28.38,;3.6,-31.05,;5.14,-31.07,;5.89,-32.42,;5.09,-33.74,;5.84,-35.09,;5.05,-36.41,;5.93,-29.76,;5.18,-28.41,;7.48,-29.78,;8.26,-28.46,;7.69,-27.03,;8.73,-25.41,;8.72,-17.1,;7.63,-16.01,;30.7,-17.04,;30.67,-22.24,;29.33,-22.99,;29.3,-24.53,;27.96,-25.28,;27.94,-26.83,;26.59,-27.57,;25.27,-26.78,;25.29,-25.25,;23.93,-27.54,;23.9,-29.08,;25.22,-29.86,;26.63,-29.26,;27.65,-30.42,;26.86,-31.74,;27.32,-33.21,;26.27,-34.34,;24.77,-34,;24.32,-32.53,;25.36,-31.4,;22.6,-26.75,;21.26,-27.5,;21.23,-29.03,;19.93,-26.71,;19.95,-25.17,;21.3,-24.41,;21.33,-22.88,;22.66,-22.13,;22.69,-20.59,;21.37,-19.8,;24.03,-19.84,;18.59,-27.45,;17.26,-26.67,;17.29,-25.13,;15.92,-27.42,;15.9,-28.96,;17.22,-29.75,;18.57,-29,;19.89,-29.79,;19.86,-31.32,;18.52,-32.08,;17.2,-31.29,;14.6,-26.63,;13.26,-27.38,;13.23,-28.92,;11.94,-26.59,;12.04,-25.04,;10.4,-24.68,;9.72,-23.15,;9.55,-26.13,;10.66,-27.4,;9.79,-28.68,;10.46,-30.06,;29.26,-27.62,;30.6,-26.86,;29.23,-29.15,)|
Show InChI InChI=1S/C83H127N21O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-69(109)92-46-71(111)94-65(48-105)79(119)98-60(34-36-68(84)108)75(115)101-64(42-53-45-88-50-93-53)78(118)103-66(49-106)80(120)97-58(29-6-4-2)73(113)99-61-35-37-70(110)89-38-24-23-31-57(72(85)112)95-77(117)63(41-52-44-91-56-30-22-21-28-55(52)56)100-74(114)59(32-25-39-90-83(86)87)96-76(116)62(40-51-26-18-17-19-27-51)102-81(121)67-43-54(107)47-104(67)82(61)122/h17-19,21-22,26-28,30,44-45,50,54,57-67,91,105-107H,3-16,20,23-25,29,31-43,46-49H2,1-2H3,(H2,84,108)(H2,85,112)(H,88,93)(H,89,110)(H,92,109)(H,94,111)(H,95,117)(H,96,116)(H,97,120)(H,98,119)(H,99,113)(H,100,114)(H,101,115)(H,102,121)(H,103,118)(H4,86,87,90)/t54-,57+,58+,59+,60+,61+,62-,63+,64+,65+,66+,67+/m1/s1
KEGG

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8n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50389775
PNG
(CHEMBL2070248)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:46.45,96.104,85.87,74.76,56.108,wD:38.37,60.60,98.101,(3.21,-29.61,;1.67,-29.58,;.93,-28.23,;-.61,-28.21,;-1.36,-26.86,;-2.9,-26.83,;-3.69,-28.15,;-5.23,-28.13,;-6.02,-29.45,;-7.56,-29.42,;-8.31,-28.07,;-9.85,-28.04,;-10.6,-26.7,;-12.15,-26.67,;-12.94,-27.99,;-12.19,-29.34,;-10.64,-29.36,;-12.99,-30.66,;-12.24,-32,;-10.69,-32.03,;-9.9,-30.71,;-9.94,-33.38,;-8.4,-33.4,;-7.65,-34.74,;-6.11,-34.77,;-8.45,-36.07,;-7.7,-37.42,;-8.49,-38.73,;-10.02,-38.7,;-7.74,-40.08,;-8.53,-41.4,;-7.78,-42.75,;-6.24,-42.77,;-8.57,-44.07,;-7.82,-45.42,;-6.28,-45.44,;-5.49,-44.12,;-5.53,-46.78,;-4,-46.81,;-3.25,-48.16,;-4.04,-49.48,;-3.3,-50.83,;-4.09,-52.15,;-3.21,-45.49,;-3.95,-44.15,;-1.66,-45.52,;-.88,-44.2,;-1.45,-42.77,;-.41,-41.14,;-.42,-32.83,;-1.51,-31.74,;21.57,-32.78,;21.53,-37.98,;20.19,-38.73,;20.16,-40.27,;18.82,-41.02,;18.8,-42.56,;17.45,-43.31,;16.13,-42.52,;16.15,-40.98,;14.79,-43.27,;14.76,-44.81,;16.08,-45.6,;17.5,-44.99,;18.51,-46.15,;17.72,-47.47,;18.18,-48.94,;17.13,-50.07,;15.63,-49.74,;15.18,-48.26,;16.22,-47.13,;13.46,-42.48,;12.12,-43.23,;12.09,-44.77,;10.79,-42.45,;10.82,-40.9,;12.16,-40.15,;12.19,-38.61,;13.52,-37.86,;13.55,-36.32,;12.23,-35.53,;14.9,-35.57,;9.45,-43.19,;8.13,-42.41,;8.15,-40.86,;6.79,-43.15,;6.76,-44.7,;8.08,-45.49,;9.43,-44.73,;10.75,-45.52,;10.72,-47.06,;9.39,-47.81,;8.06,-47.02,;5.46,-42.36,;4.12,-43.12,;4.09,-44.65,;2.8,-42.33,;2.9,-40.77,;1.26,-40.42,;.58,-38.88,;.41,-41.86,;1.52,-43.13,;.65,-44.41,;1.32,-45.79,;20.12,-43.35,;21.47,-42.6,;20.1,-44.89,)|
Show InChI InChI=1S/C74H114N18O15/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-60(94)81-42-62(96)82-43-63(97)83-44-64(98)84-45-65(99)85-46-66(100)86-54(29-6-4-2)68(102)89-56-34-35-61(95)78-36-24-23-31-53(67(75)101)87-71(105)58(39-49-41-80-52-30-22-21-28-51(49)52)90-69(103)55(32-25-37-79-74(76)77)88-70(104)57(38-48-26-18-17-19-27-48)91-72(106)59-40-50(93)47-92(59)73(56)107/h17-19,21-22,26-28,30,41,50,53-59,80,93H,3-16,20,23-25,29,31-40,42-47H2,1-2H3,(H2,75,101)(H,78,95)(H,81,94)(H,82,96)(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,105)(H,88,104)(H,89,102)(H,90,103)(H,91,106)(H4,76,77,79)/t50-,53+,54+,55+,56+,57-,58+,59+/m1/s1
UniProtKB/SwissProt

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8n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50389773
PNG
(CHEMBL2070246)
Show SMILES CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:70.70,120.129,109.112,98.101,80.133,31.30,37.36,wD:46.45,56.56,62.62,84.85,122.126,(11.68,.45,;10.14,.48,;9.34,-.84,;7.8,-.82,;7.01,-2.14,;5.47,-2.11,;4.72,-.76,;3.18,-.73,;2.44,.61,;.9,.64,;.15,1.99,;-1.39,2.01,;-2.13,3.36,;-3.67,3.39,;-4.42,4.74,;-5.96,4.76,;-6.71,6.1,;-6.75,3.44,;-8.3,3.48,;-9.64,4.25,;-8.3,5.02,;-9.09,2.15,;-10.63,2.18,;-11.43,.86,;-10.67,-.49,;-9.13,-.52,;-11.48,-1.81,;-10.72,-3.16,;-9.18,-3.18,;-8.39,-1.86,;-8.43,-4.53,;-6.89,-4.56,;-6.1,-3.23,;-4.56,-3.26,;-6.15,-5.9,;-4.6,-5.92,;-6.94,-7.22,;-6.19,-8.57,;-4.65,-8.6,;-3.85,-7.27,;-2.32,-7.3,;-1.57,-8.64,;-1.52,-5.98,;-6.98,-9.88,;-8.52,-9.86,;-6.23,-11.23,;-7.02,-12.55,;-8.56,-12.53,;-9.35,-13.85,;-8.75,-15.27,;-9.91,-16.28,;-11.25,-15.49,;-10.89,-13.99,;-6.27,-13.9,;-4.73,-13.92,;-7.06,-15.22,;-6.31,-16.57,;-7.1,-17.88,;-8.65,-17.86,;-4.77,-16.6,;-3.99,-15.27,;-4.03,-17.94,;-2.49,-17.96,;-1.74,-19.31,;-2.54,-20.63,;-1.79,-21.98,;-2.58,-23.3,;-1.7,-16.64,;-2.45,-15.3,;-.15,-16.67,;.63,-15.35,;.06,-13.92,;1.1,-12.29,;1.09,-3.98,;-0,-2.9,;23.07,-3.93,;23.04,-9.13,;21.7,-9.88,;21.67,-11.42,;20.33,-12.17,;20.31,-13.71,;18.96,-14.46,;17.64,-13.67,;17.66,-12.13,;16.3,-14.42,;16.27,-15.97,;17.59,-16.75,;19,-16.14,;20.02,-17.3,;19.23,-18.62,;19.69,-20.09,;18.64,-21.23,;17.14,-20.89,;16.69,-19.41,;17.73,-18.28,;14.97,-13.63,;13.63,-14.39,;13.6,-15.92,;12.3,-13.6,;12.32,-12.05,;13.67,-11.3,;13.7,-9.76,;15.03,-9.01,;15.06,-7.48,;13.74,-6.69,;16.4,-6.72,;10.96,-14.34,;9.63,-13.56,;9.66,-12.02,;8.29,-14.3,;8.27,-15.85,;9.59,-16.64,;10.94,-15.88,;12.26,-16.67,;12.23,-18.21,;10.89,-18.96,;9.57,-18.17,;6.97,-13.51,;5.63,-14.27,;5.6,-15.8,;4.31,-13.48,;4.41,-11.92,;2.77,-11.57,;2.09,-10.04,;1.92,-13.01,;3.03,-14.28,;2.16,-15.56,;2.83,-16.95,;21.63,-14.5,;22.97,-13.75,;21.6,-16.04,)|
Show InChI InChI=1S/C87H134N22O21S/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-34-74(116)108-131(129,130)42-26-35-72(114)96-49-75(117)98-68(51-110)83(125)102-63(36-38-71(88)113)79(121)105-67(45-56-48-92-53-97-56)82(124)107-69(52-111)84(126)101-61(30-6-4-2)77(119)103-64-37-39-73(115)93-40-24-23-32-60(76(89)118)99-81(123)66(44-55-47-95-59-31-22-21-29-58(55)59)104-78(120)62(33-25-41-94-87(90)91)100-80(122)65(43-54-27-18-17-19-28-54)106-85(127)70-46-57(112)50-109(70)86(64)128/h17-19,21-22,27-29,31,47-48,53,57,60-70,95,110-112H,3-16,20,23-26,30,32-46,49-52H2,1-2H3,(H2,88,113)(H2,89,118)(H,92,97)(H,93,115)(H,96,114)(H,98,117)(H,99,123)(H,100,122)(H,101,126)(H,102,125)(H,103,119)(H,104,120)(H,105,121)(H,106,127)(H,107,124)(H,108,116)(H4,90,91,94)/t57-,60+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+/m1/s1
UniProtKB/SwissProt

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8.20n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389776
PNG
(CHEMBL2070249)
Show SMILES CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(31.22,-50.1,;32.02,-48.78,;31.27,-47.43,;32.07,-46.11,;31.31,-44.76,;29.78,-44.74,;29.03,-43.4,;29.82,-42.07,;27.49,-43.37,;26.7,-44.69,;25.15,-44.66,;26.74,-42.02,;27.53,-40.7,;29.07,-40.73,;26.78,-39.36,;25.24,-39.33,;24.45,-40.65,;25.05,-42.07,;23.89,-43.08,;22.57,-42.29,;22.92,-40.79,;27.57,-38.04,;26.82,-36.68,;25.29,-36.66,;27.61,-35.37,;29.16,-35.4,;29.95,-34.07,;31.49,-34.1,;32.23,-35.44,;32.28,-32.78,;26.87,-34.02,;27.66,-32.7,;29.2,-32.73,;26.91,-31.36,;27.7,-30.03,;29.24,-30.06,;25.37,-31.33,;24.62,-29.98,;25.41,-28.66,;23.08,-29.96,;22.33,-28.61,;23.13,-27.29,;24.67,-27.32,;22.38,-25.94,;23.18,-24.62,;24.72,-24.65,;25.46,-26,;27,-26.03,;27.75,-27.37,;29.29,-27.4,;30.08,-26.08,;31.62,-26.11,;32.37,-27.45,;32.41,-24.79,;33.95,-24.81,;34.7,-26.16,;36.24,-26.19,;36.99,-27.54,;38.53,-27.56,;39.27,-28.91,;40.81,-28.94,;41.56,-30.28,;43.1,-30.31,;43.89,-28.99,;43.15,-27.64,;43.94,-26.33,;43.19,-24.98,;43.99,-23.66,;43.24,-22.31,;41.7,-22.12,;41.42,-20.62,;42.75,-19.86,;43.89,-20.93,;32.11,-43.45,;31.36,-42.1,;33.65,-43.47,;34.44,-42.15,;33.86,-40.72,;34.91,-39.09,;34.89,-30.78,;33.8,-29.7,;56.88,-30.73,;56.84,-35.93,;55.5,-36.68,;55.47,-38.22,;54.13,-38.97,;54.11,-40.51,;52.76,-41.26,;51.44,-40.47,;51.46,-38.94,;50.1,-41.22,;50.07,-42.77,;51.39,-43.55,;52.81,-42.95,;53.83,-44.1,;53.04,-45.43,;53.49,-46.9,;52.44,-48.03,;50.94,-47.69,;50.49,-46.22,;51.53,-45.09,;48.77,-40.44,;47.43,-41.19,;47.41,-42.72,;46.1,-40.4,;46.13,-38.86,;47.47,-38.1,;47.5,-36.57,;48.84,-35.82,;48.86,-34.28,;47.54,-33.49,;50.21,-33.53,;44.76,-41.14,;43.44,-40.36,;43.46,-38.82,;42.1,-41.11,;42.07,-42.65,;43.39,-43.44,;44.74,-42.69,;46.06,-43.48,;46.03,-45.01,;44.7,-45.76,;43.38,-44.97,;40.78,-40.32,;39.43,-41.07,;39.4,-42.61,;38.11,-40.28,;38.21,-38.73,;36.57,-38.37,;35.89,-36.84,;35.72,-39.82,;36.83,-41.09,;35.97,-42.36,;36.63,-43.75,;55.43,-41.3,;56.78,-40.55,;55.41,-42.84,)|
Show InChI InChI=1S/C90H139N27O20/c1-2-3-28-63(80(126)108-66-35-37-76(122)97-38-23-22-30-62(79(93)125)104-84(130)68(45-57-49-100-61-29-21-20-27-60(57)61)109-81(127)64(31-24-39-99-90(94)95)105-83(129)67(44-56-25-16-15-17-26-56)111-88(134)72-47-59(119)52-117(72)89(66)135)106-86(132)70(48-91)112-85(131)69(46-58-50-96-55-102-58)110-82(128)65(34-36-73(92)120)107-87(133)71(53-118)103-77(123)51-101-78(124)54-137-43-42-136-41-40-98-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-113-115-116-114-74/h15-17,20-21,25-27,29,49-50,55,59,62-72,100,118-119H,2-14,18-19,22-24,28,30-48,51-54,91H2,1H3,(H2,92,120)(H2,93,125)(H,96,102)(H,97,122)(H,98,121)(H,101,124)(H,103,123)(H,104,130)(H,105,129)(H,106,132)(H,107,133)(H,108,126)(H,109,127)(H,110,128)(H,111,134)(H,112,131)(H4,94,95,99)(H,113,114,115,116)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
UniProtKB/SwissProt

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10n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50389780
PNG
(CHEMBL2069317)
Show SMILES CCCC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.38,26.32,78.79,128.138,117.121,106.110,88.142,wD:16.23,8.12,4.4,92.94,130.135,(42.02,-50.97,;42.81,-49.65,;42.06,-48.29,;42.86,-46.97,;42.11,-45.63,;40.57,-45.63,;39.83,-44.24,;40.61,-42.94,;38.28,-44.24,;37.49,-45.55,;38.24,-46.9,;37.44,-48.22,;39.78,-46.9,;37.53,-42.88,;38.33,-41.56,;39.87,-41.56,;37.58,-40.22,;36.04,-40.22,;35.25,-41.51,;35.85,-42.93,;34.69,-43.95,;33.37,-43.16,;33.71,-41.66,;38.37,-38.9,;37.62,-37.55,;36.08,-37.55,;38.41,-36.23,;39.95,-36.23,;40.75,-34.96,;42.28,-34.96,;43.03,-36.31,;43.08,-33.64,;37.66,-34.88,;38.45,-33.56,;39.99,-33.56,;37.71,-32.22,;38.5,-30.9,;40.04,-30.9,;36.16,-32.22,;35.42,-30.85,;36.21,-29.53,;33.88,-30.85,;33.13,-29.47,;33.92,-28.15,;35.46,-28.15,;33.18,-26.81,;33.97,-25.49,;35.51,-25.49,;36.26,-26.86,;37.8,-26.86,;38.54,-28.24,;40.08,-28.24,;40.88,-26.97,;42.42,-26.97,;43.16,-28.32,;43.21,-25.65,;44.75,-25.65,;45.5,-27.03,;47.04,-27.03,;47.78,-28.4,;49.32,-28.4,;50.07,-29.77,;51.61,-29.77,;52.35,-31.15,;53.89,-31.15,;54.69,-29.86,;53.94,-28.51,;54.73,-27.19,;53.99,-25.84,;54.78,-24.52,;54.03,-23.17,;52.5,-22.99,;52.21,-21.48,;53.55,-20.73,;54.69,-21.79,;42.9,-44.31,;42.15,-42.96,;44.45,-44.31,;45.23,-43.02,;44.66,-41.59,;45.69,-39.96,;45.69,-31.65,;44.6,-30.56,;67.64,-31.65,;67.64,-36.79,;66.27,-37.55,;66.27,-39.08,;64.91,-39.84,;64.91,-41.38,;63.56,-42.12,;62.24,-41.33,;62.24,-39.8,;60.89,-42.09,;60.89,-43.63,;62.19,-44.41,;63.6,-43.81,;64.62,-44.97,;63.83,-46.29,;64.29,-47.76,;63.24,-48.89,;61.73,-48.55,;61.29,-47.08,;62.33,-45.95,;59.57,-41.3,;58.23,-42.05,;58.23,-43.59,;56.9,-41.26,;56.9,-39.72,;58.27,-38.97,;58.27,-37.43,;59.66,-36.68,;59.66,-35.14,;58.34,-34.35,;61,-34.39,;55.56,-42.01,;54.23,-41.23,;54.23,-39.68,;52.89,-41.97,;52.89,-43.51,;54.19,-44.3,;55.54,-43.55,;56.86,-44.34,;56.86,-45.88,;55.49,-46.63,;54.19,-45.84,;51.57,-41.18,;50.23,-41.93,;50.23,-43.47,;48.91,-41.14,;49.01,-39.59,;47.36,-39.23,;46.69,-37.7,;46.52,-40.68,;47.63,-41.95,;46.76,-43.23,;47.42,-44.61,;66.23,-42.17,;67.57,-41.42,;66.23,-43.7,)|
Show InChI InChI=1S/C92H143N27O20/c1-4-5-30-65(82(128)109-68-37-39-78(124)98-40-25-24-32-64(81(94)127)105-86(132)70(47-59-50-101-63-31-23-22-29-62(59)63)110-83(129)66(33-26-41-100-92(95)96)106-85(131)69(46-58-27-18-17-19-28-58)112-90(136)74-49-61(121)53-119(74)91(68)137)107-88(134)72(54-118(2)3)113-87(133)71(48-60-51-97-57-103-60)111-84(130)67(36-38-75(93)122)108-89(135)73(55-120)104-79(125)52-102-80(126)56-139-45-44-138-43-42-99-77(123)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-76-114-116-117-115-76/h17-19,22-23,27-29,31,50-51,57,61,64-74,101,120-121H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,93,122)(H2,94,127)(H,97,103)(H,98,124)(H,99,123)(H,102,126)(H,104,125)(H,105,132)(H,106,131)(H,107,134)(H,108,135)(H,109,128)(H,110,129)(H,111,130)(H,112,136)(H,113,133)(H4,95,96,100)(H,114,115,116,117)/t61-,64+,65+,66+,67+,68+,69-,70+,71+,72+,73+,74+/m1/s1
UniProtKB/SwissProt

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11n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389782
PNG
(CHEMBL2070374)
Show SMILES CCCC[C@H](NC(=O)[C@H](CNC(=O)CN(CC(O)=O)CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:45.48,36.42,88.89,138.148,127.131,116.120,98.152,wD:26.33,8.22,4.4,102.104,140.145,(43.48,-56.24,;44.27,-54.92,;43.52,-53.57,;44.32,-52.25,;43.57,-50.9,;42.03,-50.9,;41.29,-49.51,;42.07,-48.21,;39.75,-49.51,;38.96,-50.82,;39.7,-52.17,;38.91,-53.49,;39.65,-54.84,;37.37,-53.49,;36.57,-54.78,;35.03,-54.78,;34.29,-53.4,;35.08,-52.08,;32.75,-53.4,;37.32,-56.13,;36.52,-57.45,;34.98,-57.45,;37.27,-58.8,;39,-48.16,;39.79,-46.84,;41.33,-46.84,;39.04,-45.49,;37.5,-45.49,;36.71,-46.79,;37.31,-48.2,;36.15,-49.22,;34.83,-48.43,;35.17,-46.93,;39.83,-44.17,;39.08,-42.82,;37.54,-42.82,;39.87,-41.51,;41.41,-41.51,;42.21,-40.23,;43.74,-40.23,;44.49,-41.58,;44.54,-38.92,;39.12,-40.16,;39.91,-38.84,;41.46,-38.84,;39.17,-37.5,;39.96,-36.17,;41.5,-36.17,;37.63,-37.5,;36.88,-36.12,;37.67,-34.8,;35.34,-36.12,;34.59,-34.75,;35.39,-33.43,;36.93,-33.43,;34.64,-32.08,;35.43,-30.76,;36.97,-30.76,;37.72,-32.14,;39.26,-32.14,;40.01,-33.51,;41.54,-33.51,;42.34,-32.24,;43.88,-32.24,;44.62,-33.59,;44.67,-30.92,;46.21,-30.92,;46.96,-32.3,;48.5,-32.3,;49.24,-33.67,;50.78,-33.67,;51.53,-35.05,;53.07,-35.05,;53.82,-36.42,;55.36,-36.42,;56.15,-35.13,;55.4,-33.78,;56.2,-32.46,;55.45,-31.11,;56.24,-29.79,;55.5,-28.45,;53.96,-28.26,;53.67,-26.76,;55.01,-26,;56.15,-27.06,;44.36,-49.58,;43.61,-48.24,;45.91,-49.58,;46.69,-48.29,;46.12,-46.86,;47.15,-45.23,;47.15,-36.92,;46.06,-35.83,;69.1,-36.92,;69.1,-42.07,;67.73,-42.82,;67.73,-44.36,;66.37,-45.11,;66.37,-46.65,;65.02,-47.4,;63.7,-46.61,;63.7,-45.07,;62.36,-47.36,;62.36,-48.9,;63.65,-49.69,;65.06,-49.08,;66.08,-50.24,;65.29,-51.56,;65.75,-53.03,;64.7,-54.17,;63.2,-53.83,;62.75,-52.35,;63.79,-51.22,;61.03,-46.57,;59.69,-47.32,;59.69,-48.86,;58.36,-46.54,;58.36,-44.99,;59.73,-44.24,;59.73,-42.7,;61.12,-41.95,;61.12,-40.42,;59.8,-39.63,;62.46,-39.66,;57.02,-47.28,;55.69,-46.5,;55.69,-44.96,;54.35,-47.24,;54.35,-48.79,;55.65,-49.58,;57,-48.82,;58.32,-49.61,;58.32,-51.15,;56.95,-51.9,;55.65,-51.11,;53.03,-46.45,;51.69,-47.21,;51.69,-48.74,;50.37,-46.42,;50.47,-44.86,;48.83,-44.51,;48.15,-42.98,;47.98,-45.95,;49.09,-47.22,;48.22,-48.5,;48.89,-49.88,;67.69,-47.44,;69.03,-46.69,;67.69,-48.98,)|
Show InChI InChI=1S/C96H146N28O25/c1-2-3-28-66(86(138)114-69-35-37-79(129)102-38-23-22-30-65(85(98)137)110-90(142)71(45-60-48-105-64-29-21-20-27-63(60)64)115-87(139)67(31-24-39-104-96(99)100)111-89(141)70(44-59-25-16-15-17-26-59)117-94(146)75-47-62(126)52-124(75)95(69)147)112-92(144)73(50-106-81(131)53-123(54-83(133)134)55-84(135)136)118-91(143)72(46-61-49-101-58-108-61)116-88(140)68(34-36-76(97)127)113-93(145)74(56-125)109-80(130)51-107-82(132)57-149-43-42-148-41-40-103-78(128)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-77-119-121-122-120-77/h15-17,20-21,25-27,29,48-49,58,62,65-75,105,125-126H,2-14,18-19,22-24,28,30-47,50-57H2,1H3,(H2,97,127)(H2,98,137)(H,101,108)(H,102,129)(H,103,128)(H,106,131)(H,107,132)(H,109,130)(H,110,142)(H,111,141)(H,112,144)(H,113,145)(H,114,138)(H,115,139)(H,116,140)(H,117,146)(H,118,143)(H,133,134)(H,135,136)(H4,99,100,104)(H,119,120,121,122)/t62-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+/m1/s1
UniProtKB/SwissProt

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13n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50389779
PNG
(CHEMBL2070252)
Show SMILES CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:36.39,27.33,79.80,129.139,118.122,107.111,89.143,wD:17.24,8.13,4.4,93.95,131.136,(5.52,-51.26,;6.31,-49.94,;5.56,-48.59,;6.36,-47.27,;5.61,-45.92,;4.07,-45.92,;3.33,-44.53,;4.11,-43.23,;1.78,-44.53,;.99,-45.84,;1.74,-47.19,;.94,-48.51,;1.69,-49.86,;-.6,-48.51,;1.03,-43.18,;1.82,-41.86,;3.37,-41.86,;1.08,-40.52,;-.47,-40.52,;-1.26,-41.81,;-.65,-43.23,;-1.81,-44.24,;-3.15,-43.45,;-2.79,-41.95,;1.87,-39.19,;1.12,-37.84,;-.42,-37.84,;1.91,-36.53,;3.45,-36.53,;4.24,-35.26,;5.78,-35.26,;6.53,-36.6,;6.58,-33.94,;1.16,-35.18,;1.95,-33.86,;3.49,-33.86,;1.2,-32.52,;2,-31.19,;3.53,-31.19,;-.35,-32.52,;-1.09,-31.14,;-.3,-29.82,;-2.63,-31.14,;-3.38,-29.77,;-2.59,-28.45,;-1.05,-28.45,;-3.33,-27.1,;-2.54,-25.78,;-1,-25.78,;-.25,-27.16,;1.3,-27.16,;2.04,-28.53,;3.58,-28.53,;4.38,-27.27,;5.91,-27.27,;6.66,-28.61,;6.71,-25.95,;8.25,-25.95,;8.99,-27.32,;10.53,-27.32,;11.28,-28.69,;12.82,-28.69,;13.57,-30.07,;15.11,-30.07,;15.85,-31.44,;17.39,-31.44,;18.19,-30.15,;17.44,-28.8,;18.23,-27.48,;17.49,-26.14,;18.28,-24.82,;17.53,-23.47,;15.99,-23.28,;15.71,-21.78,;17.04,-21.02,;18.19,-22.08,;6.4,-44.6,;5.65,-43.26,;7.94,-44.6,;8.73,-43.31,;8.16,-41.88,;9.19,-40.25,;9.19,-31.94,;8.09,-30.86,;31.14,-31.94,;31.14,-37.09,;29.77,-37.84,;29.77,-39.38,;28.41,-40.13,;28.41,-41.67,;27.06,-42.42,;25.74,-41.63,;25.74,-40.1,;24.39,-42.38,;24.39,-43.93,;25.69,-44.71,;27.1,-44.11,;28.12,-45.26,;27.33,-46.58,;27.79,-48.06,;26.74,-49.19,;25.23,-48.85,;24.79,-47.38,;25.83,-46.25,;23.06,-41.6,;21.73,-42.35,;21.73,-43.88,;20.4,-41.56,;20.4,-40.01,;21.77,-39.26,;21.77,-37.73,;23.16,-36.97,;23.16,-35.44,;21.84,-34.65,;24.5,-34.68,;19.06,-42.3,;17.73,-41.52,;17.73,-39.98,;16.39,-42.27,;16.39,-43.81,;17.69,-44.6,;19.03,-43.85,;20.36,-44.64,;20.36,-46.17,;18.99,-46.92,;17.69,-46.13,;15.07,-41.48,;13.73,-42.23,;13.73,-43.76,;12.4,-41.44,;12.51,-39.88,;10.86,-39.53,;10.19,-38,;10.02,-40.97,;11.13,-42.24,;10.26,-43.52,;10.92,-44.91,;29.73,-42.46,;31.07,-41.71,;29.73,-44,)|
Show InChI InChI=1S/C93H145N27O20/c1-4-5-30-66(83(129)111-69-37-39-79(125)99-40-25-24-32-65(82(95)128)107-87(133)71(47-60-50-103-64-31-23-22-29-63(60)64)112-84(130)67(33-26-41-101-93(96)97)108-86(132)70(46-59-27-18-17-19-28-59)114-91(137)75-49-62(122)54-120(75)92(69)138)109-89(135)73(52-102-58(2)3)115-88(134)72(48-61-51-98-57-105-61)113-85(131)68(36-38-76(94)123)110-90(136)74(55-121)106-80(126)53-104-81(127)56-140-45-44-139-43-42-100-78(124)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-77-116-118-119-117-77/h17-19,22-23,27-29,31,50-51,57-58,62,65-75,102-103,121-122H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,94,123)(H2,95,128)(H,98,105)(H,99,125)(H,100,124)(H,104,127)(H,106,126)(H,107,133)(H,108,132)(H,109,135)(H,110,136)(H,111,129)(H,112,130)(H,113,131)(H,114,137)(H,115,134)(H4,96,97,101)(H,116,117,118,119)/t62-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+/m1/s1
UniProtKB/SwissProt

antibodypedia
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13n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389774
PNG
(CHEMBL2070247)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(28.38,-21.15,;29.18,-19.83,;28.43,-18.48,;29.23,-17.16,;28.47,-15.81,;26.94,-15.79,;26.19,-14.45,;26.98,-13.12,;24.65,-14.42,;23.86,-15.74,;22.31,-15.71,;23.9,-13.07,;24.69,-11.75,;26.23,-11.78,;23.94,-10.41,;22.41,-10.38,;21.61,-11.7,;22.21,-13.12,;21.06,-14.13,;19.73,-13.34,;20.08,-11.84,;24.73,-9.09,;23.98,-7.74,;22.45,-7.71,;24.77,-6.42,;26.32,-6.45,;27.11,-5.12,;28.65,-5.15,;29.39,-6.5,;29.44,-3.83,;24.03,-5.07,;24.82,-3.75,;26.36,-3.78,;24.07,-2.41,;24.86,-1.09,;26.4,-1.11,;22.53,-2.38,;21.78,-1.04,;22.57,.29,;20.24,-1.01,;19.5,.34,;20.29,1.66,;21.83,1.63,;19.54,3,;20.34,4.32,;21.88,4.3,;22.62,2.95,;24.16,2.92,;24.91,1.58,;26.45,1.55,;27.24,2.87,;28.78,2.84,;29.53,1.49,;29.57,4.16,;31.11,4.13,;31.86,2.79,;33.4,2.76,;34.15,1.41,;35.69,1.39,;36.43,.04,;37.97,.01,;38.72,-1.34,;40.26,-1.36,;41.05,-.04,;40.31,1.3,;41.1,2.62,;40.35,3.97,;41.15,5.29,;40.4,6.64,;38.86,6.83,;38.58,8.33,;39.91,9.08,;41.05,8.03,;29.27,-14.5,;28.52,-13.15,;30.81,-14.52,;31.6,-13.2,;31.02,-11.77,;32.07,-10.15,;32.05,-1.84,;30.96,-.75,;54.04,-1.78,;54.01,-6.98,;52.66,-7.73,;52.63,-9.27,;51.29,-10.02,;51.27,-11.57,;49.93,-12.31,;48.6,-11.52,;48.62,-9.99,;47.26,-12.28,;47.24,-13.82,;48.55,-14.6,;49.97,-14,;50.99,-15.16,;50.2,-16.48,;50.65,-17.95,;49.6,-19.08,;48.1,-18.74,;47.65,-17.27,;48.69,-16.14,;45.93,-11.49,;44.59,-12.24,;44.57,-13.77,;43.26,-11.45,;43.29,-9.91,;44.63,-9.15,;44.66,-7.62,;46,-6.87,;46.02,-5.33,;44.7,-4.54,;47.37,-4.58,;41.92,-12.19,;40.6,-11.41,;40.62,-9.87,;39.26,-12.16,;39.23,-13.7,;40.56,-14.49,;41.9,-13.74,;43.22,-14.53,;43.2,-16.06,;41.86,-16.82,;40.54,-16.03,;37.94,-11.37,;36.59,-12.12,;36.57,-13.66,;35.27,-11.33,;35.37,-9.78,;33.73,-9.42,;33.05,-7.89,;32.88,-10.87,;33.99,-12.14,;33.13,-13.42,;33.79,-14.8,;52.59,-12.36,;53.94,-11.6,;52.57,-13.89,)|
Show InChI InChI=1S/C90H138N26O21/c1-2-3-28-63(80(126)107-66-35-37-76(122)96-38-23-22-30-62(79(92)125)103-84(130)68(45-57-48-99-61-29-21-20-27-60(57)61)108-81(127)64(31-24-39-98-90(93)94)104-83(129)67(44-56-25-16-15-17-26-56)110-88(134)72-47-59(119)51-116(72)89(66)135)105-87(133)71(53-118)111-85(131)69(46-58-49-95-55-101-58)109-82(128)65(34-36-73(91)120)106-86(132)70(52-117)102-77(123)50-100-78(124)54-137-43-42-136-41-40-97-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-112-114-115-113-74/h15-17,20-21,25-27,29,48-49,55,59,62-72,99,117-119H,2-14,18-19,22-24,28,30-47,50-54H2,1H3,(H2,91,120)(H2,92,125)(H,95,101)(H,96,122)(H,97,121)(H,100,124)(H,102,123)(H,103,130)(H,104,129)(H,105,133)(H,106,132)(H,107,126)(H,108,127)(H,109,128)(H,110,134)(H,111,131)(H4,93,94,98)(H,112,113,114,115)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
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15n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389769
PNG
(BREMELANOTIDE)
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(O)=O |r,wU:61.64,50.52,39.41,25.25,4.4,wD:12.11,21.75,(-11.27,-.98,;-11.98,-2.34,;-11.15,-3.64,;-9.61,-3.57,;-8.78,-4.87,;-9.49,-6.24,;-11.03,-6.31,;-11.73,-7.67,;-11.86,-5.01,;-7.24,-4.8,;-6.41,-6.1,;-6.53,-3.43,;-4.99,-3.36,;-4.15,-4.65,;-4.16,-6.3,;-5.38,-7.46,;9.13,-7.95,;9.83,-6.57,;8.99,-5.29,;9.68,-3.91,;8.85,-2.63,;9.54,-1.25,;8.7,.04,;7.17,-.04,;6.47,-1.42,;6.33,1.25,;7.03,2.62,;8.56,2.7,;9.53,1.55,;10.96,2.1,;10.89,3.65,;11.98,4.73,;11.57,6.22,;10.08,6.61,;9,5.52,;9.4,4.04,;4.79,1.16,;3.95,2.46,;4.65,3.83,;2.41,2.38,;1.57,3.67,;2.27,5.04,;3.81,5.12,;4.51,6.49,;6.04,6.57,;6.88,5.28,;6.74,7.95,;1.71,1,;.18,.92,;-.66,2.21,;-.52,-.45,;.32,-1.74,;1.86,-1.66,;2.69,-2.95,;4.24,-2.86,;4.93,-1.49,;4.09,-.2,;2.55,-.28,;-2.06,-.53,;-2.9,.76,;-2.2,2.13,;-4.44,.67,;-5.28,1.97,;-4.58,3.34,;-5.29,4.71,;-4.2,5.81,;-2.82,5.1,;-3.06,3.57,;-5.14,-.69,;-4.3,-1.99,;-2.76,-1.9,;11.08,-1.17,;11.92,-2.46,;11.78,.2,)|
Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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17n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50389772
PNG
(CHEMBL2070244)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.37,26.31,49.48,99.107,88.90,77.79,59.111,wD:14.22,8.10,4.4,63.63,101.104,(9.16,-60.72,;9.95,-59.4,;9.2,-58.05,;10,-56.73,;9.25,-55.38,;7.71,-55.36,;6.96,-54.02,;7.75,-52.69,;5.42,-53.99,;4.63,-55.3,;3.09,-55.28,;4.67,-52.64,;5.46,-51.32,;7.01,-51.35,;4.72,-49.98,;3.18,-49.95,;2.38,-51.27,;.85,-51.24,;.05,-52.56,;-1.49,-52.53,;-2.28,-53.85,;-3.82,-53.82,;-1.54,-55.2,;5.51,-48.66,;4.76,-47.3,;3.22,-47.28,;5.55,-45.99,;7.09,-46.02,;7.88,-44.69,;9.42,-44.72,;10.17,-46.06,;10.21,-43.4,;4.8,-44.64,;5.59,-43.32,;7.13,-43.34,;4.84,-41.98,;5.64,-40.65,;7.17,-40.68,;3.3,-41.95,;2.56,-40.6,;3.35,-39.28,;1.02,-40.58,;.27,-39.23,;1.06,-37.91,;.32,-36.56,;2.6,-37.94,;10.04,-54.06,;9.29,-52.72,;11.58,-54.09,;12.37,-52.77,;11.79,-51.34,;12.84,-49.71,;12.82,-41.4,;11.73,-40.32,;34.81,-41.35,;34.78,-46.55,;33.43,-47.3,;33.4,-48.84,;32.06,-49.59,;32.04,-51.13,;30.7,-51.88,;29.37,-51.09,;29.39,-49.56,;28.03,-51.84,;28.01,-53.39,;29.32,-54.17,;30.74,-53.57,;31.76,-54.72,;30.97,-56.04,;31.42,-57.51,;30.37,-58.65,;28.87,-58.31,;28.42,-56.84,;29.46,-55.71,;26.7,-51.06,;25.36,-51.81,;25.34,-53.34,;24.04,-51.02,;24.06,-49.48,;25.4,-48.72,;25.43,-47.19,;26.77,-46.43,;26.79,-44.9,;25.47,-44.11,;28.14,-44.15,;22.7,-51.76,;21.37,-50.98,;21.39,-49.44,;20.03,-51.73,;20.01,-53.27,;21.33,-54.06,;22.67,-53.31,;23.99,-54.1,;23.97,-55.63,;22.63,-56.38,;21.31,-55.59,;18.71,-50.94,;17.36,-51.69,;17.34,-53.22,;16.04,-50.9,;16.15,-49.34,;14.5,-48.99,;13.83,-47.46,;13.66,-50.43,;14.76,-51.7,;13.9,-52.98,;14.56,-54.37,;33.36,-51.92,;34.71,-51.17,;33.34,-53.46,)|
Show InChI InChI=1S/C70H106N22O18/c1-3-4-18-45(86-66(108)53(37-94)91-61(103)46(21-11-13-28-78-69(73)74)84-62(104)48(23-25-55(71)97)87-65(107)52(36-93)82-57(99)34-80-38(2)95)59(101)88-49-24-26-56(98)77-27-12-10-20-44(58(72)100)83-64(106)51(31-40-33-81-43-19-9-8-17-42(40)43)89-60(102)47(22-14-29-79-70(75)76)85-63(105)50(30-39-15-6-5-7-16-39)90-67(109)54-32-41(96)35-92(54)68(49)110/h5-9,15-17,19,33,41,44-54,81,93-94,96H,3-4,10-14,18,20-32,34-37H2,1-2H3,(H2,71,97)(H2,72,100)(H,77,98)(H,80,95)(H,82,99)(H,83,106)(H,84,104)(H,85,105)(H,86,108)(H,87,107)(H,88,101)(H,89,102)(H,90,109)(H,91,103)(H4,73,74,78)(H4,75,76,79)/t41-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54+/m1/s1
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22n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
KEGG

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26n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50389778
PNG
(CHEMBL2070251)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:81.82,131.141,120.124,109.113,91.145,38.41,29.35,wD:4.4,95.97,133.138,19.26,8.15,(27.51,-14.26,;28.31,-12.94,;27.56,-11.59,;28.36,-10.27,;27.6,-8.92,;26.07,-8.9,;25.32,-7.56,;26.11,-6.23,;23.78,-7.53,;22.99,-8.85,;23.73,-10.19,;22.94,-11.51,;21.4,-11.48,;20.6,-12.8,;19.06,-12.77,;21.35,-14.15,;23.03,-6.18,;23.82,-4.86,;25.36,-4.89,;23.07,-3.52,;21.53,-3.49,;20.74,-4.81,;21.34,-6.23,;20.18,-7.24,;18.86,-6.45,;19.21,-4.95,;23.86,-2.2,;23.11,-.84,;21.58,-.82,;23.9,.47,;25.45,.44,;26.24,1.77,;27.78,1.74,;28.52,.4,;28.57,3.06,;23.16,1.82,;23.95,3.14,;25.49,3.11,;23.2,4.48,;23.99,5.81,;25.53,5.78,;21.66,4.51,;20.91,5.86,;21.7,7.18,;19.37,5.88,;18.62,7.23,;19.42,8.56,;20.96,8.53,;18.67,9.91,;19.47,11.23,;21.01,11.2,;21.75,9.85,;23.29,9.82,;24.04,8.47,;25.58,8.45,;26.37,9.76,;27.91,9.74,;28.66,8.4,;28.7,11.07,;30.24,11.03,;30.99,9.69,;32.53,9.65,;33.28,8.31,;34.82,8.29,;35.56,6.93,;37.1,6.9,;37.85,5.56,;39.39,5.53,;40.18,6.85,;39.44,8.2,;40.23,9.53,;39.48,10.87,;40.28,12.19,;39.53,13.54,;37.99,13.72,;37.71,15.22,;39.04,15.98,;40.18,14.92,;28.4,-7.61,;27.65,-6.26,;29.94,-7.63,;30.73,-6.31,;30.15,-4.88,;31.2,-3.25,;31.18,5.06,;30.09,6.14,;53.17,5.11,;53.13,-.09,;51.79,-.84,;51.76,-2.38,;50.42,-3.13,;50.4,-4.67,;49.05,-5.42,;47.73,-4.63,;47.75,-3.1,;46.39,-5.38,;46.36,-6.93,;47.68,-7.71,;49.1,-7.11,;50.12,-8.26,;49.33,-9.59,;49.78,-11.06,;48.73,-12.19,;47.23,-11.85,;46.78,-10.38,;47.82,-9.25,;45.06,-4.6,;43.72,-5.35,;43.7,-6.88,;42.39,-4.56,;42.42,-3.02,;43.76,-2.26,;43.79,-.73,;45.13,.02,;45.15,1.56,;43.83,2.35,;46.5,2.31,;41.05,-5.3,;39.73,-4.52,;39.75,-2.98,;38.39,-5.27,;38.36,-6.81,;39.68,-7.6,;41.03,-6.85,;42.35,-7.64,;42.32,-9.17,;40.99,-9.92,;39.67,-9.13,;37.07,-4.48,;35.72,-5.23,;35.69,-6.77,;34.4,-4.44,;34.5,-2.89,;32.86,-2.53,;32.18,-1,;32.01,-3.98,;33.12,-5.25,;32.26,-6.52,;32.92,-7.91,;51.72,-5.46,;53.07,-4.71,;51.7,-7,)|
Show InChI InChI=1S/C93H145N29O20/c1-2-3-29-65(83(132)114-69-37-39-78(127)101-40-23-22-31-64(81(95)130)109-87(136)71(48-59-51-105-63-30-21-20-28-62(59)63)115-84(133)67(33-25-42-104-93(98)99)111-86(135)70(47-58-26-16-15-17-27-58)117-90(139)74-50-61(124)54-122(74)91(69)140)110-82(131)66(32-24-41-103-92(96)97)112-88(137)72(49-60-52-100-57-107-60)116-85(134)68(36-38-75(94)125)113-89(138)73(55-123)108-79(128)53-106-80(129)56-142-46-45-141-44-43-102-77(126)35-19-14-12-10-8-6-4-5-7-9-11-13-18-34-76-118-120-121-119-76/h15-17,20-21,26-28,30,51-52,57,61,64-74,105,123-124H,2-14,18-19,22-25,29,31-50,53-56H2,1H3,(H2,94,125)(H2,95,130)(H,100,107)(H,101,127)(H,102,126)(H,106,129)(H,108,128)(H,109,136)(H,110,131)(H,111,135)(H,112,137)(H,113,138)(H,114,132)(H,115,133)(H,116,134)(H,117,139)(H4,96,97,103)(H4,98,99,104)(H,118,119,120,121)/t61-,64+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+/m1/s1
UniProtKB/SwissProt

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UniChem
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27n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389781
PNG
(CHEMBL2070254)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:37.42,28.33,83.83,133.142,122.125,111.114,93.146,wD:17.24,8.13,4.4,97.98,135.139,(40.6,-30.05,;41.4,-28.73,;40.65,-27.38,;41.45,-26.06,;40.69,-24.71,;39.16,-24.71,;38.41,-23.32,;39.2,-22.02,;36.87,-23.32,;36.08,-24.63,;36.82,-25.98,;36.03,-27.3,;34.49,-27.3,;36.78,-28.65,;36.12,-21.97,;36.91,-20.65,;38.45,-20.65,;36.16,-19.31,;34.62,-19.31,;33.88,-17.93,;32.34,-17.93,;31.59,-16.53,;30.05,-16.53,;29.3,-15.19,;29.26,-17.86,;36.95,-17.98,;36.2,-16.63,;34.67,-16.63,;36.99,-15.32,;38.54,-15.32,;39.33,-14.05,;40.87,-14.05,;41.61,-15.39,;41.66,-12.73,;36.25,-13.97,;37.04,-12.65,;38.58,-12.65,;36.29,-11.31,;37.08,-9.98,;38.62,-9.98,;39.41,-8.69,;40.95,-8.69,;38.07,-7.91,;34.75,-11.31,;34,-9.93,;34.79,-8.61,;32.46,-9.93,;31.71,-8.56,;32.51,-7.24,;34.05,-7.24,;31.76,-5.89,;32.56,-4.57,;34.1,-4.57,;34.84,-5.95,;36.38,-5.95,;37.13,-7.32,;38.67,-7.32,;39.46,-6.06,;41,-6.06,;41.75,-7.4,;41.79,-4.74,;43.33,-4.74,;44.08,-6.11,;45.62,-6.11,;46.37,-7.48,;47.91,-7.48,;48.65,-8.86,;50.19,-8.86,;50.94,-10.23,;52.48,-10.23,;53.27,-8.94,;52.53,-7.59,;53.32,-6.27,;52.57,-4.93,;53.37,-3.61,;52.62,-2.26,;51.08,-2.07,;50.8,-.57,;52.13,.19,;53.27,-.87,;41.49,-23.39,;40.74,-22.05,;43.03,-23.39,;43.82,-22.1,;43.24,-20.67,;44.27,-19.04,;44.27,-10.73,;43.18,-9.65,;66.22,-10.73,;66.22,-15.88,;64.85,-16.63,;64.85,-18.17,;63.49,-18.92,;63.49,-20.46,;62.14,-21.21,;60.82,-20.42,;60.82,-18.89,;59.48,-21.17,;59.48,-22.72,;60.77,-23.5,;62.19,-22.9,;63.21,-24.05,;62.42,-25.37,;62.87,-26.85,;61.82,-27.98,;60.32,-27.64,;59.87,-26.17,;60.91,-25.04,;58.15,-20.39,;56.81,-21.14,;56.81,-22.67,;55.48,-20.35,;55.48,-18.8,;56.85,-18.05,;56.85,-16.52,;58.24,-15.76,;58.24,-14.23,;56.92,-13.44,;59.59,-13.47,;54.14,-21.09,;52.82,-20.31,;52.82,-18.77,;51.48,-21.06,;51.48,-22.6,;52.77,-23.39,;54.12,-22.64,;55.44,-23.43,;55.44,-24.96,;54.08,-25.71,;52.77,-24.92,;50.16,-20.27,;48.81,-21.02,;48.81,-22.55,;47.49,-20.23,;47.59,-18.67,;45.95,-18.32,;45.27,-16.79,;45.1,-19.76,;46.21,-21.03,;45.35,-22.31,;46.01,-23.7,;64.81,-21.25,;66.16,-20.5,;64.81,-22.79,)|
Show InChI InChI=1S/C94H146N26O24/c1-2-3-29-64(84(134)113-70-36-40-76(123)100-44-23-22-31-63(82(95)132)107-90(140)72(52-59-54-104-62-30-21-20-28-61(59)62)114-85(135)66(33-25-46-103-94(98)99)110-89(139)71(51-58-26-16-15-17-27-58)115-91(141)73-53-60(121)56-120(73)92(70)142)108-87(137)68(38-42-80(128)129)111-83(133)65(32-24-45-102-93(96)97)109-88(138)69(39-43-81(130)131)112-86(136)67(37-41-79(126)127)106-77(124)55-105-78(125)57-144-50-49-143-48-47-101-75(122)35-19-14-12-10-8-6-4-5-7-9-11-13-18-34-74-116-118-119-117-74/h15-17,20-21,26-28,30,54,60,63-73,104,121H,2-14,18-19,22-25,29,31-53,55-57H2,1H3,(H2,95,132)(H,100,123)(H,101,122)(H,105,125)(H,106,124)(H,107,140)(H,108,137)(H,109,138)(H,110,139)(H,111,133)(H,112,136)(H,113,134)(H,114,135)(H,115,141)(H,126,127)(H,128,129)(H,130,131)(H4,96,97,102)(H4,98,99,103)(H,116,117,118,119)/t60-,63+,64+,65+,66+,67+,68+,69+,70+,71-,72+,73+/m1/s1
KEGG

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35n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50389777
PNG
(CHEMBL2070250)
Show SMILES CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:8.8,76.77,126.136,115.119,33.36,24.30,104.108,86.140,wD:128.133,4.4,14.21,90.92,(-10.32,-20.03,;-9.53,-18.71,;-10.27,-17.35,;-9.48,-16.03,;-10.23,-14.69,;-11.77,-14.66,;-12.52,-13.32,;-11.73,-12,;-14.06,-13.3,;-14.85,-14.62,;-14.8,-11.95,;-14.12,-10.33,;-13.32,-9.01,;-11.78,-9.04,;-14.06,-7.67,;-15.61,-7.64,;-16.4,-8.96,;-15.79,-10.38,;-16.95,-11.4,;-18.29,-10.61,;-17.93,-9.11,;-13.28,-6.35,;-14.03,-5,;-15.56,-4.97,;-13.23,-3.68,;-11.7,-3.71,;-10.89,-2.39,;-9.35,-2.41,;-8.61,-3.76,;-8.56,-1.09,;-13.98,-2.33,;-13.2,-1.01,;-11.64,-1.04,;-13.94,.33,;-13.15,1.65,;-11.61,1.63,;-15.48,.35,;-16.23,1.7,;-15.43,3.02,;-17.77,1.73,;-18.52,3.08,;-17.72,4.4,;-16.18,4.37,;-18.47,5.74,;-17.68,7.06,;-16.14,7.04,;-15.39,5.69,;-13.85,5.66,;-13.1,4.31,;-11.56,4.29,;-10.76,5.61,;-9.22,5.58,;-8.47,4.23,;-8.43,6.9,;-6.89,6.87,;-6.14,5.52,;-4.6,5.5,;-3.86,4.15,;-2.32,4.12,;-1.57,2.78,;-.03,2.75,;.72,1.4,;2.26,1.37,;3.05,2.69,;2.3,4.04,;3.1,5.36,;2.35,6.71,;3.14,8.04,;2.4,9.38,;.86,9.57,;.58,11.07,;1.91,11.82,;3.05,10.77,;-9.44,-13.37,;-10.18,-12.02,;-7.89,-13.39,;-7.11,-12.08,;-7.68,-10.65,;-6.64,-9.02,;-6.65,-.71,;-7.74,.38,;15.34,-.66,;15.3,-5.85,;13.96,-6.61,;13.93,-8.14,;12.59,-8.9,;12.57,-10.44,;11.22,-11.18,;9.9,-10.39,;9.92,-8.86,;8.56,-11.15,;8.53,-12.69,;9.85,-13.47,;11.27,-12.87,;12.28,-14.03,;11.49,-15.35,;11.95,-16.82,;10.9,-17.95,;9.4,-17.61,;8.95,-16.14,;9.99,-15.01,;7.23,-10.36,;5.89,-11.11,;5.86,-12.65,;4.56,-10.32,;4.59,-8.78,;5.93,-8.03,;5.96,-6.49,;7.29,-5.74,;7.32,-4.2,;6,-3.41,;8.67,-3.45,;3.22,-11.07,;1.9,-10.29,;1.92,-8.74,;.56,-11.03,;.53,-12.57,;1.85,-13.36,;3.2,-12.61,;4.52,-13.4,;4.49,-14.94,;3.16,-15.69,;1.83,-14.9,;-.77,-10.24,;-2.11,-10.99,;-2.14,-12.53,;-3.43,-10.2,;-3.33,-8.65,;-4.97,-8.29,;-5.65,-6.76,;-5.82,-9.74,;-4.71,-11.01,;-5.58,-12.29,;-4.91,-13.67,;13.89,-11.23,;15.24,-10.48,;13.87,-12.76,)|
Show InChI InChI=1S/C90H139N27O20/c1-2-3-28-64(82(128)109-67-35-37-76(122)97-38-23-22-30-63(79(93)125)105-86(132)69(45-57-48-100-62-29-21-20-27-60(57)62)110-83(129)65(31-24-39-99-90(94)95)107-85(131)68(44-56-25-16-15-17-26-56)112-88(134)72-47-59(119)52-117(72)89(67)135)106-80(126)61(91)50-102-81(127)70(46-58-49-96-55-103-58)111-84(130)66(34-36-73(92)120)108-87(133)71(53-118)104-77(123)51-101-78(124)54-137-43-42-136-41-40-98-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-113-115-116-114-74/h15-17,20-21,25-27,29,48-49,55,59,61,63-72,100,118-119H,2-14,18-19,22-24,28,30-47,50-54,91H2,1H3,(H2,92,120)(H2,93,125)(H,96,103)(H,97,122)(H,98,121)(H,101,124)(H,102,127)(H,104,123)(H,105,132)(H,106,126)(H,107,131)(H,108,133)(H,109,128)(H,110,129)(H,111,130)(H,112,134)(H4,94,95,99)(H,113,114,115,116)/t59-,61+,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+/m1/s1
UniProtKB/SwissProt

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40n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50389776
PNG
(CHEMBL2070249)
Show SMILES CCCC[C@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(31.22,-50.1,;32.02,-48.78,;31.27,-47.43,;32.07,-46.11,;31.31,-44.76,;29.78,-44.74,;29.03,-43.4,;29.82,-42.07,;27.49,-43.37,;26.7,-44.69,;25.15,-44.66,;26.74,-42.02,;27.53,-40.7,;29.07,-40.73,;26.78,-39.36,;25.24,-39.33,;24.45,-40.65,;25.05,-42.07,;23.89,-43.08,;22.57,-42.29,;22.92,-40.79,;27.57,-38.04,;26.82,-36.68,;25.29,-36.66,;27.61,-35.37,;29.16,-35.4,;29.95,-34.07,;31.49,-34.1,;32.23,-35.44,;32.28,-32.78,;26.87,-34.02,;27.66,-32.7,;29.2,-32.73,;26.91,-31.36,;27.7,-30.03,;29.24,-30.06,;25.37,-31.33,;24.62,-29.98,;25.41,-28.66,;23.08,-29.96,;22.33,-28.61,;23.13,-27.29,;24.67,-27.32,;22.38,-25.94,;23.18,-24.62,;24.72,-24.65,;25.46,-26,;27,-26.03,;27.75,-27.37,;29.29,-27.4,;30.08,-26.08,;31.62,-26.11,;32.37,-27.45,;32.41,-24.79,;33.95,-24.81,;34.7,-26.16,;36.24,-26.19,;36.99,-27.54,;38.53,-27.56,;39.27,-28.91,;40.81,-28.94,;41.56,-30.28,;43.1,-30.31,;43.89,-28.99,;43.15,-27.64,;43.94,-26.33,;43.19,-24.98,;43.99,-23.66,;43.24,-22.31,;41.7,-22.12,;41.42,-20.62,;42.75,-19.86,;43.89,-20.93,;32.11,-43.45,;31.36,-42.1,;33.65,-43.47,;34.44,-42.15,;33.86,-40.72,;34.91,-39.09,;34.89,-30.78,;33.8,-29.7,;56.88,-30.73,;56.84,-35.93,;55.5,-36.68,;55.47,-38.22,;54.13,-38.97,;54.11,-40.51,;52.76,-41.26,;51.44,-40.47,;51.46,-38.94,;50.1,-41.22,;50.07,-42.77,;51.39,-43.55,;52.81,-42.95,;53.83,-44.1,;53.04,-45.43,;53.49,-46.9,;52.44,-48.03,;50.94,-47.69,;50.49,-46.22,;51.53,-45.09,;48.77,-40.44,;47.43,-41.19,;47.41,-42.72,;46.1,-40.4,;46.13,-38.86,;47.47,-38.1,;47.5,-36.57,;48.84,-35.82,;48.86,-34.28,;47.54,-33.49,;50.21,-33.53,;44.76,-41.14,;43.44,-40.36,;43.46,-38.82,;42.1,-41.11,;42.07,-42.65,;43.39,-43.44,;44.74,-42.69,;46.06,-43.48,;46.03,-45.01,;44.7,-45.76,;43.38,-44.97,;40.78,-40.32,;39.43,-41.07,;39.4,-42.61,;38.11,-40.28,;38.21,-38.73,;36.57,-38.37,;35.89,-36.84,;35.72,-39.82,;36.83,-41.09,;35.97,-42.36,;36.63,-43.75,;55.43,-41.3,;56.78,-40.55,;55.41,-42.84,)|
Show InChI InChI=1S/C90H139N27O20/c1-2-3-28-63(80(126)108-66-35-37-76(122)97-38-23-22-30-62(79(93)125)104-84(130)68(45-57-49-100-61-29-21-20-27-60(57)61)109-81(127)64(31-24-39-99-90(94)95)105-83(129)67(44-56-25-16-15-17-26-56)111-88(134)72-47-59(119)52-117(72)89(66)135)106-86(132)70(48-91)112-85(131)69(46-58-50-96-55-102-58)110-82(128)65(34-36-73(92)120)107-87(133)71(53-118)103-77(123)51-101-78(124)54-137-43-42-136-41-40-98-75(121)33-19-14-12-10-8-6-4-5-7-9-11-13-18-32-74-113-115-116-114-74/h15-17,20-21,25-27,29,49-50,55,59,62-72,100,118-119H,2-14,18-19,22-24,28,30-48,51-54,91H2,1H3,(H2,92,120)(H2,93,125)(H,96,102)(H,97,122)(H,98,121)(H,101,124)(H,103,123)(H,104,130)(H,105,129)(H,106,132)(H,107,133)(H,108,126)(H,109,127)(H,110,128)(H,111,134)(H,112,131)(H4,94,95,99)(H,113,114,115,116)/t59-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+/m1/s1
UniProtKB/SwissProt

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42n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50389778
PNG
(CHEMBL2070251)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:81.82,131.141,120.124,109.113,91.145,38.41,29.35,wD:4.4,95.97,133.138,19.26,8.15,(27.51,-14.26,;28.31,-12.94,;27.56,-11.59,;28.36,-10.27,;27.6,-8.92,;26.07,-8.9,;25.32,-7.56,;26.11,-6.23,;23.78,-7.53,;22.99,-8.85,;23.73,-10.19,;22.94,-11.51,;21.4,-11.48,;20.6,-12.8,;19.06,-12.77,;21.35,-14.15,;23.03,-6.18,;23.82,-4.86,;25.36,-4.89,;23.07,-3.52,;21.53,-3.49,;20.74,-4.81,;21.34,-6.23,;20.18,-7.24,;18.86,-6.45,;19.21,-4.95,;23.86,-2.2,;23.11,-.84,;21.58,-.82,;23.9,.47,;25.45,.44,;26.24,1.77,;27.78,1.74,;28.52,.4,;28.57,3.06,;23.16,1.82,;23.95,3.14,;25.49,3.11,;23.2,4.48,;23.99,5.81,;25.53,5.78,;21.66,4.51,;20.91,5.86,;21.7,7.18,;19.37,5.88,;18.62,7.23,;19.42,8.56,;20.96,8.53,;18.67,9.91,;19.47,11.23,;21.01,11.2,;21.75,9.85,;23.29,9.82,;24.04,8.47,;25.58,8.45,;26.37,9.76,;27.91,9.74,;28.66,8.4,;28.7,11.07,;30.24,11.03,;30.99,9.69,;32.53,9.65,;33.28,8.31,;34.82,8.29,;35.56,6.93,;37.1,6.9,;37.85,5.56,;39.39,5.53,;40.18,6.85,;39.44,8.2,;40.23,9.53,;39.48,10.87,;40.28,12.19,;39.53,13.54,;37.99,13.72,;37.71,15.22,;39.04,15.98,;40.18,14.92,;28.4,-7.61,;27.65,-6.26,;29.94,-7.63,;30.73,-6.31,;30.15,-4.88,;31.2,-3.25,;31.18,5.06,;30.09,6.14,;53.17,5.11,;53.13,-.09,;51.79,-.84,;51.76,-2.38,;50.42,-3.13,;50.4,-4.67,;49.05,-5.42,;47.73,-4.63,;47.75,-3.1,;46.39,-5.38,;46.36,-6.93,;47.68,-7.71,;49.1,-7.11,;50.12,-8.26,;49.33,-9.59,;49.78,-11.06,;48.73,-12.19,;47.23,-11.85,;46.78,-10.38,;47.82,-9.25,;45.06,-4.6,;43.72,-5.35,;43.7,-6.88,;42.39,-4.56,;42.42,-3.02,;43.76,-2.26,;43.79,-.73,;45.13,.02,;45.15,1.56,;43.83,2.35,;46.5,2.31,;41.05,-5.3,;39.73,-4.52,;39.75,-2.98,;38.39,-5.27,;38.36,-6.81,;39.68,-7.6,;41.03,-6.85,;42.35,-7.64,;42.32,-9.17,;40.99,-9.92,;39.67,-9.13,;37.07,-4.48,;35.72,-5.23,;35.69,-6.77,;34.4,-4.44,;34.5,-2.89,;32.86,-2.53,;32.18,-1,;32.01,-3.98,;33.12,-5.25,;32.26,-6.52,;32.92,-7.91,;51.72,-5.46,;53.07,-4.71,;51.7,-7,)|
Show InChI InChI=1S/C93H145N29O20/c1-2-3-29-65(83(132)114-69-37-39-78(127)101-40-23-22-31-64(81(95)130)109-87(136)71(48-59-51-105-63-30-21-20-28-62(59)63)115-84(133)67(33-25-42-104-93(98)99)111-86(135)70(47-58-26-16-15-17-27-58)117-90(139)74-50-61(124)54-122(74)91(69)140)110-82(131)66(32-24-41-103-92(96)97)112-88(137)72(49-60-52-100-57-107-60)116-85(134)68(36-38-75(94)125)113-89(138)73(55-123)108-79(128)53-106-80(129)56-142-46-45-141-44-43-102-77(126)35-19-14-12-10-8-6-4-5-7-9-11-13-18-34-76-118-120-121-119-76/h15-17,20-21,26-28,30,51-52,57,61,64-74,105,123-124H,2-14,18-19,22-25,29,31-50,53-56H2,1H3,(H2,94,125)(H2,95,130)(H,100,107)(H,101,127)(H,102,126)(H,106,129)(H,108,128)(H,109,136)(H,110,131)(H,111,135)(H,112,137)(H,113,138)(H,114,132)(H,115,133)(H,116,134)(H,117,139)(H4,96,97,103)(H4,98,99,104)(H,118,119,120,121)/t61-,64+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+/m1/s1
KEGG

UniProtKB/SwissProt

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44n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50389770
PNG
(CHEMBL2070242)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:33.36,24.30,47.47,97.106,86.89,75.78,57.110,wD:14.21,8.10,4.4,61.62,99.103,(4.15,-11.82,;4.94,-10.5,;4.19,-9.15,;4.99,-7.83,;4.23,-6.48,;2.7,-6.46,;1.96,-5.12,;2.74,-3.8,;.41,-5.09,;-.38,-6.41,;-1.92,-6.38,;-.34,-3.74,;.46,-2.42,;2,-2.45,;-.29,-1.08,;-1.83,-1.06,;-2.62,-2.37,;-2.02,-3.79,;-3.18,-4.8,;-4.5,-4.01,;-4.16,-2.52,;.5,.24,;-.25,1.59,;-1.79,1.61,;.54,2.9,;2.08,2.88,;2.87,4.2,;4.41,4.17,;5.16,2.83,;5.2,5.49,;-.21,4.25,;.58,5.57,;2.12,5.55,;-.16,6.91,;.63,8.24,;2.16,8.22,;-1.7,6.94,;-2.45,8.29,;-1.66,9.61,;-3.99,8.32,;-4.74,9.67,;-3.94,10.99,;-4.69,12.33,;-2.4,10.95,;5.03,-5.17,;4.28,-3.82,;6.57,-5.19,;7.36,-3.88,;6.78,-2.45,;7.83,-.82,;7.81,7.48,;6.72,8.58,;29.78,7.54,;29.75,2.34,;28.41,1.59,;28.38,.05,;27.04,-.7,;27.02,-2.24,;25.67,-2.98,;24.35,-2.19,;24.37,-.66,;23.01,-2.95,;22.98,-4.49,;24.3,-5.27,;25.72,-4.67,;26.73,-5.83,;25.94,-7.15,;26.4,-8.62,;25.35,-9.75,;23.85,-9.41,;23.4,-7.94,;24.44,-6.81,;21.68,-2.16,;20.34,-2.91,;20.32,-4.45,;19.02,-2.12,;19.04,-.58,;20.38,.17,;20.41,1.71,;21.75,2.46,;21.77,3.99,;20.45,4.78,;23.12,4.75,;17.68,-2.87,;16.35,-2.09,;16.38,-.54,;15.01,-2.83,;14.99,-4.37,;16.31,-5.16,;17.65,-4.41,;18.97,-5.2,;18.95,-6.73,;17.61,-7.48,;16.29,-6.7,;13.69,-2.04,;12.35,-2.79,;12.32,-4.33,;11.03,-2,;11.13,-.45,;9.49,-.1,;8.81,1.43,;8.64,-1.54,;9.75,-2.81,;8.89,-4.09,;9.55,-5.47,;28.34,-3.03,;29.68,-2.28,;28.31,-4.56,)|
Show InChI InChI=1S/C69H99N21O18/c1-3-4-16-45(83-66(106)53(35-92)89-64(104)51(28-40-31-74-36-79-40)87-61(101)47(20-22-55(70)95)84-65(105)52(34-91)80-57(97)32-77-37(2)93)59(99)85-48-21-23-56(96)75-24-11-10-18-44(58(71)98)81-63(103)50(27-39-30-78-43-17-9-8-15-42(39)43)86-60(100)46(19-12-25-76-69(72)73)82-62(102)49(26-38-13-6-5-7-14-38)88-67(107)54-29-41(94)33-90(54)68(48)108/h5-9,13-15,17,30-31,36,41,44-54,78,91-92,94H,3-4,10-12,16,18-29,32-35H2,1-2H3,(H2,70,95)(H2,71,98)(H,74,79)(H,75,96)(H,77,93)(H,80,97)(H,81,103)(H,82,102)(H,83,106)(H,84,105)(H,85,99)(H,86,100)(H,87,101)(H,88,107)(H,89,104)(H4,72,73,76)/t41-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+/m1/s1
UniProtKB/SwissProt

antibodypedia
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45n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
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