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Compile Data Set for Download or QSAR

Found 2019 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 1


(Mus musculus)
BDBM50138289
PNG
((R)-15-(2-Amino-hexanoylamino)-9-benzyl-6-(3-guani...)
Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2C=NC=N2)NC1=O)C(O)=O
Show InChI InChI=1S/C48H66N14O9/c1-2-3-15-32(49)41(64)59-39-24-40(63)53-19-10-9-17-35(47(70)71)58-44(67)37(22-29-25-55-33-16-8-7-14-31(29)33)61-42(65)34(18-11-20-54-48(50)51)57-43(66)36(21-28-12-5-4-6-13-28)60-45(68)38(62-46(39)69)23-30-26-52-27-56-30/h4-8,12-14,16,25-27,30,32,34-39,55H,2-3,9-11,15,17-24,49H2,1H3,(H,53,63)(H,57,66)(H,58,67)(H,59,64)(H,60,68)(H,61,65)(H,62,69)(H,70,71)(H4,50,51,54)/t30?,32-,34-,35-,36+,37-,38-,39-/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse melanocortin 1 receptor


Bioorg Med Chem Lett 14: 377-81 (2003)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5462-7 (2006)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50163144
PNG
(CHEMBL414778 | H-Tyr-Val-Nle-Gly-His-D-Nal(2'')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
Show InChI InChI=1S/C77H103N21O16/c1-4-5-22-54(93-75(113)65(44(2)3)98-66(104)53(78)34-47-26-29-52(99)30-27-47)67(105)87-41-62(100)90-60(38-51-40-84-43-89-51)73(111)96-59(37-48-25-28-49-20-12-13-21-50(49)33-48)71(109)91-56(24-15-32-86-77(81)82)70(108)95-58(36-46-18-10-7-11-19-46)72(110)97-61(39-63(101)102)74(112)92-55(23-14-31-85-76(79)80)69(107)94-57(35-45-16-8-6-9-17-45)68(106)88-42-64(103)114-83/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78,83H2,1-3H3,(H,84,89)(H,87,105)(H,88,106)(H,90,100)(H,91,109)(H,92,112)(H,93,113)(H,94,107)(H,95,108)(H,96,111)(H,97,110)(H,98,104)(H,101,102)(H4,79,80,85)(H4,81,82,86)/t53-,54-,55-,56-,57-,58-,59+,60-,61-,65-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115293
PNG
(CHEMBL436773 | DOTA-ReCCEHdFRWCKPV-OH)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(O)=O
Show InChI InChI=1S/C75H110N24O21S3.O.Re/c1-41(2)59(73(119)120)92-65(114)53-17-10-22-99(53)72(118)49(16-9-21-82-75(78)79)87-67(116)70(122)93-64(113)51(32-43-34-83-46-14-7-6-13-45(43)46)89-60(109)47(15-8-20-81-74(76)77)85-62(111)50(31-42-11-4-3-5-12-42)88-63(112)52(33-44-35-80-40-84-44)90-61(110)48(18-19-55(101)102)86-66(115)71(123)94-68(117)69(121)91-54(100)36-95-23-25-96(37-56(103)104)27-29-98(39-58(107)108)30-28-97(26-24-95)38-57(105)106;;/h3-7,11-14,34-35,40-41,47-53,59,69-71,83H,8-10,15-33,36-39H2,1-2H3,(H27,76,77,78,79,80,81,82,84,85,86,87,88,89,90,91,92,93,94,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,119,120,121,122,123);;/q;-1;+3/p-4/t47?,48?,49?,50-,51?,52?,53?,59?,69?,70?,71?;;/m0../s1
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n/an/a 0.160n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line


J Med Chem 45: 3048-56 (2002)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibitory activity against hMC1R transfected in HEK293 cells


J Med Chem 49: 1946-52 (2006)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/a 0.200n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


J Med Chem 51: 187-95 (2008)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50205745
PNG
((3S,6S,9R,12S,15S,23S)-15-[(2S)-2-aminohexanamido]...)
Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C52H69N15O8/c1-2-3-14-36(53)46(70)64-43-26-44(68)58-20-9-8-16-38(45(54)69)62-49(73)41(24-33-27-60-37-15-7-6-13-35(33)37)66-47(71)39(17-10-21-59-52(55)56)63-48(72)40(23-30-18-19-31-11-4-5-12-32(31)22-30)65-50(74)42(67-51(43)75)25-34-28-57-29-61-34/h4-7,11-13,15,18-19,22,27-29,36,38-43,60H,2-3,8-10,14,16-17,20-21,23-26,53H2,1H3,(H2,54,69)(H,57,61)(H,58,68)(H,62,73)(H,63,72)(H,64,70)(H,65,74)(H,66,71)(H,67,75)(H4,55,56,59)/t36-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level


J Med Chem 52: 3627-35 (2009)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human MC1 receptor expressed in HEK293 cells


J Med Chem 49: 6888-96 (2006)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50354719
PNG
(CHEMBL1834391)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)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](CCCN=C(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/C76H109N21O18/c1-4-5-18-51(89-73(113)59(40-99)95-71(111)55(91-65(105)49(78)39-98)33-44-23-25-47(100)26-24-44)67(107)90-53(27-28-62(102)103)69(109)94-58(35-46-37-82-41-86-46)72(112)92-56(32-43-15-7-6-8-16-43)70(110)88-52(21-13-30-83-76(80)81)68(108)93-57(34-45-36-84-50-19-10-9-17-48(45)50)66(106)85-38-61(101)87-54(20-11-12-29-77)75(115)97-31-14-22-60(97)74(114)96-63(42(2)3)64(79)104/h6-10,15-17,19,23-26,36-37,41-42,49,51-60,63,84,98-100H,4-5,11-14,18,20-22,27-35,38-40,77-78H2,1-3H3,(H2,79,104)(H,82,86)(H,85,106)(H,87,101)(H,88,110)(H,89,113)(H,90,107)(H,91,105)(H,92,112)(H,93,108)(H,94,109)(H,95,111)(H,96,114)(H,102,103)(H4,80,81,83)/t49-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,63-/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50354718
PNG
(CHEMBL1834392)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCN=[N+]=[N-])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](CCCN=C(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/C82H120N24O18/c1-4-5-22-56(97-79(122)65(46-108)103-76(119)61(39-50-27-29-53(109)30-28-50)100-78(121)64(45-107)89-34-15-6-7-16-36-94-105-87)72(115)98-58(31-32-68(111)112)74(117)102-63(41-52-43-88-47-93-52)77(120)99-60(38-49-19-9-8-10-20-49)75(118)96-57(25-17-35-90-82(85)86)73(116)101-62(40-51-42-91-55-23-12-11-21-54(51)55)71(114)92-44-67(110)95-59(24-13-14-33-83)81(124)106-37-18-26-66(106)80(123)104-69(48(2)3)70(84)113/h8-12,19-21,23,27-30,42-43,47-48,56-66,69,89,91,107-109H,4-7,13-18,22,24-26,31-41,44-46,83H2,1-3H3,(H2,84,113)(H,88,93)(H,92,114)(H,95,110)(H,96,118)(H,97,122)(H,98,115)(H,99,120)(H,100,121)(H,101,116)(H,102,117)(H,103,119)(H,104,123)(H,111,112)(H4,85,86,90)/t56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,69-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Melanocortin 1 receptor (hMC1R)


J Med Chem 40: 1738-48 (1997)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50163145
PNG
(CHEMBL413439 | H-Tyr-Val-Nle-Gly-His-D-Nal(2'')-Ar...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C79H103N21O16/c1-4-5-20-56(95-77(116)67(44(2)3)100-68(107)54(80)33-46-25-28-52(101)29-26-46)69(108)89-41-64(102)92-62(37-51-40-85-43-91-51)75(114)97-60(35-47-24-27-48-17-9-10-18-49(48)32-47)73(112)93-58(23-14-31-87-79(83)84)72(111)98-61(36-50-39-88-55-21-12-11-19-53(50)55)74(113)99-63(38-65(103)104)76(115)94-57(22-13-30-86-78(81)82)71(110)96-59(70(109)90-42-66(105)106)34-45-15-7-6-8-16-45/h6-12,15-19,21,24-29,32,39-40,43-44,54,56-63,67,88,101H,4-5,13-14,20,22-23,30-31,33-38,41-42,80H2,1-3H3,(H,85,91)(H,89,108)(H,90,109)(H,92,102)(H,93,112)(H,94,115)(H,95,116)(H,96,110)(H,97,114)(H,98,111)(H,99,113)(H,100,107)(H,103,104)(H,105,106)(H4,81,82,86)(H4,83,84,87)/t54-,56-,57-,58-,59-,60+,61-,62-,63-,67-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
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
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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n/an/a 0.310n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis


J Med Chem 59: 3112-28 (2016)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50454555
PNG
(CHEMBL2115441)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O
Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40+,41-,42-,43-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Melanocortin 1 receptor (hMC1R)


J Med Chem 40: 1738-48 (1997)

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
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n/an/a 0.400n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50268806
PNG
(Ac-Tyr-Val-Nle-Gly-His-DPhe-Arg-Trp-Asp-Arg-Phe-Gl...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C77H104N22O16/c1-5-6-22-53(94-75(115)65(43(2)3)99-74(114)57(90-44(4)100)34-47-26-28-50(101)29-27-47)66(106)88-41-63(103)91-60(36-49-39-83-42-89-49)72(112)96-58(33-46-19-11-8-12-20-46)70(110)92-55(25-16-31-85-77(81)82)69(109)97-59(35-48-38-86-52-23-14-13-21-51(48)52)71(111)98-61(37-64(104)105)73(113)93-54(24-15-30-84-76(79)80)68(108)95-56(67(107)87-40-62(78)102)32-45-17-9-7-10-18-45/h7-14,17-21,23,26-29,38-39,42-43,53-61,65,86,101H,5-6,15-16,22,24-25,30-37,40-41H2,1-4H3,(H2,78,102)(H,83,89)(H,87,107)(H,88,106)(H,90,100)(H,91,103)(H,92,110)(H,93,113)(H,94,115)(H,95,108)(H,96,112)(H,97,109)(H,98,111)(H,99,114)(H,104,105)(H4,79,80,84)(H4,81,82,85)/t53-,54-,55-,56-,57-,58+,59-,60-,61-,65-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level


J Med Chem 52: 3627-35 (2009)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50163146
PNG
(Ac-Tyr-Val-Nle-Gly-His-D-Phe-Arg-Trp-Asp-Arg-Phe-G...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
Show InChI InChI=1S/C77H104N22O17/c1-5-6-22-53(94-75(115)65(43(2)3)99-74(114)57(90-44(4)100)34-47-26-28-50(101)29-27-47)66(106)87-40-62(102)91-60(36-49-39-83-42-89-49)72(112)96-58(33-46-19-11-8-12-20-46)70(110)92-55(25-16-31-85-77(80)81)69(109)97-59(35-48-38-86-52-23-14-13-21-51(48)52)71(111)98-61(37-63(103)104)73(113)93-54(24-15-30-84-76(78)79)68(108)95-56(32-45-17-9-7-10-18-45)67(107)88-41-64(105)116-82/h7-14,17-21,23,26-29,38-39,42-43,53-61,65,86,101H,5-6,15-16,22,24-25,30-37,40-41,82H2,1-4H3,(H,83,89)(H,87,106)(H,88,107)(H,90,100)(H,91,102)(H,92,110)(H,93,113)(H,94,115)(H,95,108)(H,96,112)(H,97,109)(H,98,111)(H,99,114)(H,103,104)(H4,78,79,84)(H4,80,81,85)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,65-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
The concentration that inhibits 50% specific binding was determined against the Melanocortin 1 receptor


J Med Chem 38: 4720-9 (1995)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82411
PNG
(CAS_75921-69-6 | NDP-MSH)
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](CCCN=C(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/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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n/an/a 0.510n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from Melanocortin 1 receptor at 10 uM


J Med Chem 40: 2133-9 (1997)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82411
PNG
(CAS_75921-69-6 | NDP-MSH)
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](CCCN=C(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/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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n/an/a 0.510n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Melanocortin 1 receptor (hMC1R)


J Med Chem 40: 1738-48 (1997)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50354717
PNG
(CHEMBL1834393)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)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](CCCN=C(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/C92H135N25O25/c1-4-5-18-62(105-89(140)71(52-119)111-86(137)67(41-56-23-25-59(120)26-24-56)108-88(139)70(51-118)103-74(122)47-113-32-34-114(48-76(125)126)36-38-116(50-78(129)130)39-37-115(35-33-113)49-77(127)128)82(133)106-64(27-28-75(123)124)84(135)110-69(43-58-45-97-53-101-58)87(138)107-66(40-55-15-7-6-8-16-55)85(136)104-63(21-13-30-98-92(95)96)83(134)109-68(42-57-44-99-61-19-10-9-17-60(57)61)81(132)100-46-73(121)102-65(20-11-12-29-93)91(142)117-31-14-22-72(117)90(141)112-79(54(2)3)80(94)131/h6-10,15-17,19,23-26,44-45,53-54,62-72,79,99,118-120H,4-5,11-14,18,20-22,27-43,46-52,93H2,1-3H3,(H2,94,131)(H,97,101)(H,100,132)(H,102,121)(H,103,122)(H,104,136)(H,105,140)(H,106,133)(H,107,138)(H,108,139)(H,109,134)(H,110,135)(H,111,137)(H,112,141)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H4,95,96,98)/t62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,79-/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50326435
PNG
(CHEMBL1240919)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O
Show InChI InChI=1S/C93H135N31O23S3/c1-47(2)74(75(95)132)123-89(146)69-22-13-33-124(69)90(147)59(21-12-32-105-93(100)101)113-87(144)67(44-149)121-83(140)62(36-50-40-106-54-17-7-6-16-53(50)54)116-79(136)57(20-11-31-104-92(98)99)111-81(138)60(34-48-14-4-3-5-15-48)114-84(141)63(37-51-41-102-46-108-51)117-80(137)58(27-28-72(128)129)112-86(143)66(43-148)122-88(145)68(45-150)120-78(135)55(18-8-9-29-94)109-70(126)38-64-85(142)115-61(35-49-23-25-52(125)26-24-49)82(139)119-65(39-73(130)131)76(133)107-42-71(127)110-56(77(134)118-64)19-10-30-103-91(96)97/h3-7,14-17,23-26,40-41,46-47,55-69,74,106,125,148-150H,8-13,18-22,27-39,42-45,94H2,1-2H3,(H2,95,132)(H,102,108)(H,107,133)(H,109,126)(H,110,127)(H,111,138)(H,112,143)(H,113,144)(H,114,141)(H,115,142)(H,116,136)(H,117,137)(H,118,134)(H,119,139)(H,120,135)(H,121,140)(H,122,145)(H,123,146)(H,128,129)(H,130,131)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t55-,56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Displacement of [125I]-(Tyr2)-NDP-MSH from MC1 receptor in mouse B16/F1 cells


Bioorg Med Chem 18: 6695-700 (2010)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50163141
PNG
(CHEMBL438920 | H-Tyr-Val-Nle-Gly-His-D-Phe-Arg-D-N...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
Show InChI InChI=1S/C77H103N21O16/c1-4-5-22-54(93-75(113)65(44(2)3)98-66(104)53(78)34-47-26-29-52(99)30-27-47)67(105)87-41-62(100)90-60(38-51-40-84-43-89-51)73(111)96-58(36-46-18-10-7-11-19-46)71(109)91-56(24-15-32-86-77(81)82)70(108)95-59(37-48-25-28-49-20-12-13-21-50(49)33-48)72(110)97-61(39-63(101)102)74(112)92-55(23-14-31-85-76(79)80)69(107)94-57(35-45-16-8-6-9-17-45)68(106)88-42-64(103)114-83/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78,83H2,1-3H3,(H,84,89)(H,87,105)(H,88,106)(H,90,100)(H,91,109)(H,92,112)(H,93,113)(H,94,107)(H,95,108)(H,96,111)(H,97,110)(H,98,104)(H,101,102)(H4,79,80,85)(H4,81,82,86)/t53-,54-,55-,56-,57-,58-,59+,60-,61-,65-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50354716
PNG
(CHEMBL1834394)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)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](CCCN=C(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/C111H167FN30O26/c1-4-5-27-77(127-106(165)86(67-144)133-103(162)82(56-71-33-35-74(145)36-34-71)130-105(164)85(66-143)118-41-18-6-7-21-46-142-87-31-12-9-16-39-111(112,96(87)135-136-142)109(168)120-43-20-19-42-119-90(147)62-137-47-49-138(63-92(150)151)51-53-140(65-94(154)155)54-52-139(50-48-137)64-93(152)153)99(158)128-79(37-38-91(148)149)101(160)132-84(58-73-60-117-68-124-73)104(163)129-81(55-70-24-10-8-11-25-70)102(161)126-78(30-22-44-121-110(115)116)100(159)131-83(57-72-59-122-76-28-14-13-26-75(72)76)98(157)123-61-89(146)125-80(29-15-17-40-113)108(167)141-45-23-32-88(141)107(166)134-95(69(2)3)97(114)156/h8,10-11,13-14,24-26,28,33-36,59-60,68-69,77-86,88,95,118,122,143-145H,4-7,9,12,15-23,27,29-32,37-58,61-67,113H2,1-3H3,(H2,114,156)(H,117,124)(H,119,147)(H,120,168)(H,123,157)(H,125,146)(H,126,161)(H,127,165)(H,128,158)(H,129,163)(H,130,164)(H,131,159)(H,132,160)(H,133,162)(H,134,166)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H4,115,116,121)/t77-,78-,79-,80-,81+,82-,83-,84-,85-,86-,88-,95-,111?/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115292
PNG
(CHEMBL438180 | DOTA-ReCCEHdFRWCKPVD-OH)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(=O)NC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C79H115N25O24S3.O.Re/c1-42(2)62(69(122)95-54(77(127)128)34-58(108)109)97-68(121)55-17-10-22-104(55)76(126)50(16-9-21-86-79(82)83)91-71(124)74(130)98-67(120)52(32-44-35-87-47-14-7-6-13-46(44)47)93-63(116)48(15-8-20-85-78(80)81)89-65(118)51(31-43-11-4-3-5-12-43)92-66(119)53(33-45-36-84-41-88-45)94-64(117)49(18-19-57(106)107)90-70(123)75(131)99-72(125)73(129)96-56(105)37-100-23-25-101(38-59(110)111)27-29-103(40-61(114)115)30-28-102(26-24-100)39-60(112)113;;/h3-7,11-14,35-36,41-42,48-55,62,73-75,87H,8-10,15-34,37-40H2,1-2H3,(H29,80,81,82,83,84,85,86,88,89,90,91,92,93,94,95,96,97,98,99,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,127,128,129,130,131);;/q;-1;+3/p-4/t48?,49?,50?,51-,52?,53?,54?,55?,62?,73?,74?,75?;;/m0../s1
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n/an/a 0.790n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line


J Med Chem 45: 3048-56 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50354715
PNG
(CHEMBL1834395)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1)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](CCCN=C(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/C107H160FN29O24/c1-4-5-27-74(123-102(158)83(64-139)129-99(155)79(54-68-33-35-71(140)36-34-68)126-101(157)82(63-138)114-41-18-6-7-21-46-137-84-31-12-9-16-39-107(108,92(84)131-132-137)105(161)116-43-20-19-42-115-87(142)60-133-47-49-134(61-89(145)146)51-52-135(50-48-133)62-90(147)148)95(151)124-76(37-38-88(143)144)97(153)128-81(56-70-58-113-65-120-70)100(156)125-78(53-67-24-10-8-11-25-67)98(154)122-75(30-22-44-117-106(111)112)96(152)127-80(55-69-57-118-73-28-14-13-26-72(69)73)94(150)119-59-86(141)121-77(29-15-17-40-109)104(160)136-45-23-32-85(136)103(159)130-91(66(2)3)93(110)149/h8,10-11,13-14,24-26,28,33-36,57-58,65-66,74-83,85,91,114,118,138-140H,4-7,9,12,15-23,27,29-32,37-56,59-64,109H2,1-3H3,(H2,110,149)(H,113,120)(H,115,142)(H,116,161)(H,119,150)(H,121,141)(H,122,154)(H,123,158)(H,124,151)(H,125,156)(H,126,157)(H,127,152)(H,128,153)(H,129,155)(H,130,159)(H,143,144)(H,145,146)(H,147,148)(H4,111,112,117)/t74-,75-,76-,77-,78+,79-,80-,81-,82-,83-,85-,91-,107?/m0/s1
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n/an/a 0.820n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50058158
PNG
((3S,6S,9S,12S,15S,18S,26S)-18-((S)-2-Acetylamino-h...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C53H74N16O10/c1-4-5-17-38(63-31(3)70)47(74)69-43-26-44(71)58-21-12-11-19-37(45(54)72)64-46(73)30(2)62-49(76)41(24-33-27-60-36-18-10-9-16-35(33)36)67-48(75)39(20-13-22-59-53(55)56)65-50(77)40(23-32-14-7-6-8-15-32)66-51(78)42(68-52(43)79)25-34-28-57-29-61-34/h6-10,14-16,18,27-30,37-43,60H,4-5,11-13,17,19-26H2,1-3H3,(H2,54,72)(H,57,61)(H,58,71)(H,62,76)(H,63,70)(H,64,73)(H,65,77)(H,66,78)(H,67,75)(H,68,79)(H,69,74)(H4,55,56,59)/t30-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 0.910n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Melanocortin 1 receptor (hMC1R)


J Med Chem 40: 1738-48 (1997)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50027084
PNG
(MELATONAN | Melatonan)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/a 1n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50027179
PNG
(CHEMBL2096759)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
Show InChI InChI=1S/C75H102N22O16/c1-4-5-21-52(92-73(112)63(42(2)3)97-64(103)50(76)31-45-25-27-48(98)28-26-45)65(104)86-39-60(99)89-58(35-47-38-82-41-88-47)71(110)94-56(33-44-18-10-7-11-19-44)69(108)90-54(24-15-30-84-75(79)80)68(107)95-57(34-46-37-85-51-22-13-12-20-49(46)51)70(109)96-59(36-61(100)101)72(111)91-53(23-14-29-83-74(77)78)67(106)93-55(32-43-16-8-6-9-17-43)66(105)87-40-62(102)113-81/h6-13,16-20,22,25-28,37-38,41-42,50,52-59,63,85,98H,4-5,14-15,21,23-24,29-36,39-40,76,81H2,1-3H3,(H,82,88)(H,86,104)(H,87,105)(H,89,99)(H,90,108)(H,91,111)(H,92,112)(H,93,106)(H,94,110)(H,95,107)(H,96,109)(H,97,103)(H,100,101)(H4,77,78,83)(H4,79,80,84)/t50-,52-,53-,54-,55-,56+,57+,58-,59-,63-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand


Bioorg Med Chem Lett 13: 1307-11 (2003)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50121268
PNG
(21-(2-Acetylamino-hexanoylamino)-7-[3-(diaminometh...)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41-,42+,43-,44-,45+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC1R expressed in HEK293 cells


J Med Chem 52: 3627-35 (2009)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50268796
PNG
(Ac-Nle-c[Asp-cis-4-guanidinyl-Pro-DPhe-Arg-Trp-Lys...)
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]2C[C@@H](CN2C1=O)N=C(N)N)C(N)=O
Show InChI InChI=1S/C50H72N16O9/c1-3-4-16-35(59-28(2)67)43(70)65-39-25-41(68)56-20-11-10-18-34(42(51)69)61-46(73)38(23-30-26-58-33-17-9-8-15-32(30)33)63-44(71)36(19-12-21-57-49(52)53)62-45(72)37(22-29-13-6-5-7-14-29)64-47(74)40-24-31(60-50(54)55)27-66(40)48(39)75/h5-9,13-15,17,26,31,34-40,58H,3-4,10-12,16,18-25,27H2,1-2H3,(H2,51,69)(H,56,68)(H,59,67)(H,61,73)(H,62,72)(H,63,71)(H,64,74)(H,65,70)(H4,52,53,57)(H4,54,55,60)/t31-,34-,35-,36-,37+,38-,39-,40-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC1R expressed in HEK293 cells


J Med Chem 52: 3627-35 (2009)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115291
PNG
(CHEMBL269739 | DOTA-ReCCEHdFRWCKPV-NH2)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(N)=O
Show InChI InChI=1S/C75H111N23O20S3.O.Re/c1-42(2)60(61(77)108)91-67(114)54-18-11-23-98(54)74(118)50(16-8-9-21-76)86-69(116)72(120)92-66(113)52(33-44-35-82-47-15-7-6-14-46(44)47)88-62(109)48(17-10-22-81-75(78)79)84-64(111)51(32-43-12-4-3-5-13-43)87-65(112)53(34-45-36-80-41-83-45)89-63(110)49(19-20-56(100)101)85-68(115)73(121)93-70(117)71(119)90-55(99)37-94-24-26-95(38-57(102)103)28-30-97(40-59(106)107)31-29-96(27-25-94)39-58(104)105;;/h3-7,12-15,35-36,41-42,48-54,60,71-73,82H,8-11,16-34,37-40,76H2,1-2H3,(H24,77,78,79,80,81,83,84,85,86,87,88,89,90,91,92,93,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,119,120,121);;/q;-1;+3/p-4/t48?,49?,50?,51-,52?,53?,54?,60?,71?,72?,73?;;/m0../s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line


J Med Chem 45: 3048-56 (2002)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50268802
PNG
(Ac-Nle-c[Asp-cis-4-guanidinyl-Pro-DNal(2')-Arg-Trp...)
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](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@@H](CN2C1=O)N=C(N)N)C(N)=O
Show InChI InChI=1S/C54H74N16O9/c1-3-4-15-39(63-30(2)71)47(74)69-43-27-45(72)60-21-10-9-17-38(46(55)73)65-50(77)42(25-34-28-62-37-16-8-7-14-36(34)37)67-48(75)40(18-11-22-61-53(56)57)66-49(76)41(24-31-19-20-32-12-5-6-13-33(32)23-31)68-51(78)44-26-35(64-54(58)59)29-70(44)52(43)79/h5-8,12-14,16,19-20,23,28,35,38-44,62H,3-4,9-11,15,17-18,21-22,24-27,29H2,1-2H3,(H2,55,73)(H,60,72)(H,63,71)(H,65,77)(H,66,76)(H,67,75)(H,68,78)(H,69,74)(H4,56,57,61)(H4,58,59,64)/t35-,38-,39-,40-,41+,42-,43-,44-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC1R expressed in HEK293 cells


J Med Chem 52: 3627-35 (2009)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50134948
PNG
(CHEMBL437050 | H-Tyr-Val-Met-Gly-His-Phe-Arg-Trp-A...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C74H99N21O16S/c1-41(2)62(95-63(102)49(75)30-44-22-24-47(96)25-23-44)72(111)90-53(26-29-112-3)64(103)84-38-59(97)87-57(34-46-37-80-40-86-46)70(109)92-55(32-43-16-8-5-9-17-43)68(107)88-52(21-13-28-82-74(78)79)67(106)93-56(33-45-36-83-50-19-11-10-18-48(45)50)69(108)94-58(35-60(98)99)71(110)89-51(20-12-27-81-73(76)77)66(105)91-54(65(104)85-39-61(100)101)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,83,96H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H,80,86)(H,84,103)(H,85,104)(H,87,97)(H,88,107)(H,89,110)(H,90,111)(H,91,105)(H,92,109)(H,93,106)(H,94,108)(H,95,102)(H,98,99)(H,100,101)(H4,76,77,81)(H4,78,79,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50193836
PNG
(1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5462-7 (2006)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50112890
PNG
(CHEMBL3600833)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1/C55H73N15O9/c1-4-5-16-41(64-32(2)71)49(74)67-44-28-47(72)60-22-11-10-18-40(48(56)73)65-50(75)42(26-36-29-62-39-17-9-8-15-38(36)39)68-53(78)46(19-12-23-61-55(57)58)70(3)54(79)45(25-33-20-21-34-13-6-7-14-35(34)24-33)69-51(76)43(66-52(44)77)27-37-30-59-31-63-37/h6-9,13-15,17,20-21,24,29-31,40-46,62H,4-5,10-12,16,18-19,22-23,25-28H2,1-3H3,(H2,56,73)(H,59,63)(H,60,72)(H,64,71)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,76)(H4,57,58,61)/t40-,41+,42-,43-,44-,45+,46-/s2
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n/an/a 1.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC1 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50058160
PNG
((3R,6S,9R,12S,15R,18R,26R)-18-Acetylamino-12-benzy...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)NCCCC[C@@H](NC1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C47H63N15O9/c1-26-41(66)58-33(40(48)65)15-8-9-17-52-39(64)22-38(57-27(2)63)46(71)62-37(21-30-24-51-25-55-30)45(70)60-35(19-28-11-4-3-5-12-28)44(69)59-34(16-10-18-53-47(49)50)42(67)61-36(43(68)56-26)20-29-23-54-32-14-7-6-13-31(29)32/h3-7,11-14,23-26,33-38,54H,8-10,15-22H2,1-2H3,(H2,48,65)(H,51,55)(H,52,64)(H,56,68)(H,57,63)(H,58,66)(H,59,69)(H,60,70)(H,61,67)(H,62,71)(H4,49,50,53)/t26-,33-,34-,35+,36+,37-,38-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Melanocortin 1 receptor (hMC1R)


J Med Chem 40: 1738-48 (1997)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50454019
PNG
(CHEMBL2370906)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]([C@H](C)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C51H73N15O10/c1-4-5-17-37(60-30(3)67)45(71)65-41(25-42(68)69)49(75)64-40(24-32-26-56-28-59-32)48(74)63-39(23-31-14-7-6-8-15-31)47(73)62-38(20-13-22-57-51(54)55)46(72)66-43(50(76)61-36(44(53)70)19-11-12-21-52)29(2)34-27-58-35-18-10-9-16-33(34)35/h6-10,14-16,18,26-29,36-41,43,58H,4-5,11-13,17,19-25,52H2,1-3H3,(H2,53,70)(H,56,59)(H,60,67)(H,61,76)(H,62,73)(H,63,74)(H,64,75)(H,65,71)(H,66,72)(H,68,69)(H4,54,55,57)/t29-,36+,37+,38+,39+,40+,41+,43-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
The concentration that inhibits 50% specific binding was determined against the Melanocortin 1 receptor


J Med Chem 38: 4720-9 (1995)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50027178
PNG
(CHEMBL2371712)
Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
Show InChI InChI=1S/C80H105N19O16/c1-4-5-22-57(93-78(114)68(46(2)3)98-69(105)56(81)39-48-28-32-55(100)33-29-48)70(106)89-44-65(101)99-36-15-25-64(99)77(113)97-62(42-50-27-31-52-19-10-12-21-54(52)38-50)74(110)91-59(24-14-35-88-80(84)85)73(109)95-61(41-49-26-30-51-18-9-11-20-53(51)37-49)75(111)96-63(43-66(102)103)76(112)92-58(23-13-34-87-79(82)83)72(108)94-60(40-47-16-7-6-8-17-47)71(107)90-45-67(104)115-86/h6-12,16-21,26-33,37-38,46,56-64,68,100H,4-5,13-15,22-25,34-36,39-45,81,86H2,1-3H3,(H,89,106)(H,90,107)(H,91,110)(H,92,112)(H,93,114)(H,94,108)(H,95,109)(H,96,111)(H,97,113)(H,98,105)(H,102,103)(H4,82,83,87)(H4,84,85,88)/t56-,57-,58-,59-,60-,61+,62+,63-,64-,68-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4)


J Med Chem 48: 1839-48 (2005)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115290
PNG
(CHEMBL436858 | DOTA-ReCCEHdFRWCRPV-NH2)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(N)=O
Show InChI InChI=1S/C75H111N25O20S3.O.Re/c1-41(2)59(60(76)110)93-66(116)53-17-10-22-100(53)73(120)49(16-9-21-83-75(79)80)88-68(118)71(122)94-65(115)51(32-43-34-84-46-14-7-6-13-45(43)46)90-61(111)47(15-8-20-82-74(77)78)86-63(113)50(31-42-11-4-3-5-12-42)89-64(114)52(33-44-35-81-40-85-44)91-62(112)48(18-19-55(102)103)87-67(117)72(123)95-69(119)70(121)92-54(101)36-96-23-25-97(37-56(104)105)27-29-99(39-58(108)109)30-28-98(26-24-96)38-57(106)107;;/h3-7,11-14,34-35,40-41,47-53,59,70-72,84H,8-10,15-33,36-39H2,1-2H3,(H28,76,77,78,79,80,81,82,83,85,86,87,88,89,90,91,92,93,94,95,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,121,122,123);;/q;-1;+3/p-4/t47?,48?,49?,50-,51?,52?,53?,59?,70?,71?,72?;;/m0../s1
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n/an/a 2.10n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line


J Med Chem 45: 3048-56 (2002)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50193835
PNG
(1-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c25-22(15-19-10-5-2-6-11-19)24-17-20-12-7-13-23(20)16-21(24)14-18-8-3-1-4-9-18/h1-6,8-11,20-21H,7,12-17H2/t20-,21-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5462-7 (2006)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50268801
PNG
(Ac-Nle-c[Asp-trans-4-guanidinyl-Pro-DNal(2')-Arg-T...)
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](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](CN2C1=O)N=C(N)N)C(N)=O
Show InChI InChI=1S/C54H74N16O9/c1-3-4-15-39(63-30(2)71)47(74)69-43-27-45(72)60-21-10-9-17-38(46(55)73)65-50(77)42(25-34-28-62-37-16-8-7-14-36(34)37)67-48(75)40(18-11-22-61-53(56)57)66-49(76)41(24-31-19-20-32-12-5-6-13-33(32)23-31)68-51(78)44-26-35(64-54(58)59)29-70(44)52(43)79/h5-8,12-14,16,19-20,23,28,35,38-44,62H,3-4,9-11,15,17-18,21-22,24-27,29H2,1-2H3,(H2,55,73)(H,60,72)(H,63,71)(H,65,77)(H,66,76)(H,67,75)(H,68,78)(H,69,74)(H4,56,57,61)(H4,58,59,64)/t35-,38+,39+,40+,41-,42+,43+,44+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level


J Med Chem 52: 3627-35 (2009)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50184359
PNG
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting


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

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50268795
PNG
(Ac-Nle-c[Asp-trans-4-guanidinyl-Pro-DPhe-Arg-Trp-L...)
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]2C[C@H](CN2C1=O)N=C(N)N)C(N)=O
Show InChI InChI=1S/C50H72N16O9/c1-3-4-16-35(59-28(2)67)43(70)65-39-25-41(68)56-20-11-10-18-34(42(51)69)61-46(73)38(23-30-26-58-33-17-9-8-15-32(30)33)63-44(71)36(19-12-21-57-49(52)53)62-45(72)37(22-29-13-6-5-7-14-29)64-47(74)40-24-31(60-50(54)55)27-66(40)48(39)75/h5-9,13-15,17,26,31,34-40,58H,3-4,10-12,16,18-25,27H2,1-2H3,(H2,51,69)(H,56,68)(H,59,67)(H,61,73)(H,62,72)(H,63,71)(H,64,74)(H,65,70)(H4,52,53,57)(H4,54,55,60)/t31-,34+,35+,36+,37-,38+,39+,40+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level


J Med Chem 52: 3627-35 (2009)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50125750
PNG
(CHEMBL13910 | N-[1-[2-(4-Butyryl-4-phenyl-piperidi...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O5/c1-3-10-34(44)38(29-13-8-5-9-14-29)19-21-43(22-20-38)37(47)33(23-27-15-17-31(48-2)18-16-27)42-36(46)32(24-30-25-39-26-40-30)41-35(45)28-11-6-4-7-12-28/h4-9,11-18,25-26,32-33H,3,10,19-24H2,1-2H3,(H,39,40)(H,41,45)(H,42,46)/t32-,33-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against human Melanocortin 1 receptor (MC1R)


J Med Chem 46: 1123-6 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115294
PNG
(Ac-Lys(DOTA)-ReCCEHdFRWCKPV-NH2 | CHEMBL413451)
Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)C(CCCCNC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)NC(C)=O)C(=O)N23)S1)C(N)=O
Show InChI InChI=1S/C91H131N25O24S3.O.Re/c1-53(2)74(75(92)127)108-82(134)68-27-17-33-116(68)89(138)64(25-13-15-31-98-91(139)140-51-56-20-8-5-9-21-56)104-84(136)86(141)110-81(133)66(43-57-45-99-60-23-11-10-22-59(57)60)106-76(128)62(26-16-32-97-90(93)94)102-79(131)65(42-55-18-6-4-7-19-55)105-80(132)67(44-58-46-95-52-100-58)107-77(129)63(28-29-70(119)120)103-83(135)87(142)111-85(137)88(143)109-78(130)61(101-54(3)117)24-12-14-30-96-69(118)47-112-34-36-113(48-71(121)122)38-40-115(50-73(125)126)41-39-114(37-35-112)49-72(123)124;;/h4-11,18-23,45-46,52-53,61-68,74,86-88,99H,12-17,24-44,47-51H2,1-3H3,(H27,92,93,94,95,96,97,98,100,101,102,103,104,105,106,107,108,109,110,111,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,139,141,142,143);;/q;-1;+3/p-4/t61?,62?,63?,64?,65-,66?,67?,68?,74?,86?,87?,88?;;/m0../s1
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n/an/a 3.30n/an/an/an/an/an/a



University of Missouri-Columbia

Curated by ChEMBL


Assay Description
In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line


J Med Chem 45: 3048-56 (2002)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50261670
PNG
((3R,6S,9S,12R,15S)-12-benzyl-9-(3-carbamimidamidop...)
Show SMILES NC([NH-])=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O
Show InChI InChI=1S/C42H47N13O8S/c43-36(56)34-21-64-35-13-12-26(55(62)63)18-28(35)37(57)51-33(17-25-20-46-22-49-25)41(61)52-31(15-23-7-2-1-3-8-23)39(59)50-30(11-6-14-47-42(44)45)38(58)53-32(40(60)54-34)16-24-19-48-29-10-5-4-9-27(24)29/h1-5,7-10,12-13,18-20,22,30-34,48H,6,11,14-17,21H2,(H12,43,44,45,46,47,49,50,51,52,53,54,56,57,58,59,60,61)/t30-,31+,32-,33-,34?/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 1 receptor expressed in HEK293 cells


J Med Chem 51: 2701-7 (2008)

More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50112894
PNG
(CHEMBL3600837)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1/C56H75N15O9/c1-5-6-17-41(65-33(2)72)50(75)67-43-29-48(73)61-23-12-11-19-46(49(57)74)70(3)55(80)45(27-37-30-63-40-18-10-9-16-39(37)40)69-53(78)47(20-13-24-62-56(58)59)71(4)54(79)44(26-34-21-22-35-14-7-8-15-36(35)25-34)68-51(76)42(66-52(43)77)28-38-31-60-32-64-38/h7-10,14-16,18,21-22,25,30-32,41-47,63H,5-6,11-13,17,19-20,23-24,26-29H2,1-4H3,(H2,57,74)(H,60,64)(H,61,73)(H,65,72)(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H4,58,59,62)/t41-,42+,43+,44-,45+,46+,47+/s2
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n/an/a 3.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC1 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)

More data for this
Ligand-Target Pair
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