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Compile Data Set for Download or QSAR

Found 4698 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' AND taxid = 9606   
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 4


(Homo sapiens (Human))
BDBM50114083
PNG
(9-Benzyl-12-(3H-imidazol-4-ylmethyl)-3-(1H-indol-3...)
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C39H48N10O7/c1-23-36(53)48-31(18-25-20-43-28-12-6-5-11-27(25)28)38(55)47-29(35(40)52)13-7-8-16-42-33(50)14-15-34(51)46-32(19-26-21-41-22-44-26)39(56)49-30(37(54)45-23)17-24-9-3-2-4-10-24/h2-6,9-12,20-23,29-32,43H,7-8,13-19H2,1H3,(H2,40,52)(H,41,44)(H,42,50)(H,45,54)(H,46,51)(H,47,55)(H,48,53)(H,49,56)/t23-,29+,30+,31+,32-/m0/s1
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0n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity for human Melanocortin-4 receptor (hMC4R)


J Med Chem 45: 2644-50 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50114077
PNG
(6-(3-Guanidino-propyl)-12-(3H-imidazol-4-ylmethyl)...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C36H51N13O7/c1-20-32(53)48-26(10-6-14-42-36(38)39)33(54)49-27(15-21-17-43-24-8-3-2-7-23(21)24)35(56)47-25(31(37)52)9-4-5-13-41-29(50)11-12-30(51)46-28(34(55)45-20)16-22-18-40-19-44-22/h2-3,7-8,17-20,25-28,43H,4-6,9-16H2,1H3,(H2,37,52)(H,40,44)(H,41,50)(H,45,55)(H,46,51)(H,47,56)(H,48,53)(H,49,54)(H4,38,39,42)/t20-,25-,26+,27-,28+/m1/s1
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0n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity for human Melanocortin-4 receptor (hMC4R)


J Med Chem 45: 2644-50 (2002)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50151511
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50151511
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160158
PNG
(US9040663, 4)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-45(75)38(22-27-24-60-31-8-3-2-7-29(27)31)67-42(72)34(11-6-20-59-48(55)56)63-46(76)37(21-26-12-13-28(49)23-30(26)50)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,23-24,32-38,60H,4-6,9-11,14-22,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0550n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160159
PNG
(US9040663, 5)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-46(76)38(23-27-24-60-31-8-3-2-7-28(27)31)67-42(72)34(11-6-20-59-48(55)56)63-45(75)37(22-26-12-13-29(49)30(50)21-26)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,21,24,32-38,60H,4-6,9-11,14-20,22-23,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,76)(H,63,75)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0550n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50105879
PNG
(15-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)
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](Cc2cnc[nH]2)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+/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160174
PNG
(US9040663, 20)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C49H70F3N17O9/c1-26(70)63-33(10-5-21-60-47(55)56)41(73)66-35-16-17-39(71)59-20-4-9-32(40(54)72)64-46(78)38(24-28-25-62-31-8-3-2-7-30(28)31)69-42(74)34(11-6-22-61-48(57)58)65-45(77)37(68-44(76)36(18-19-53)67-43(35)75)23-27-12-14-29(15-13-27)49(50,51)52/h2-3,7-8,12-15,25,32-38,62H,4-6,9-11,16-24,53H2,1H3,(H2,54,72)(H,59,71)(H,63,70)(H,64,78)(H,65,77)(H,66,73)(H,67,75)(H,68,76)(H,69,74)(H4,55,56,60)(H4,57,58,61)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0600n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

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
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160157
PNG
(US9040663, 3)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C48H70ClN17O9/c1-26(67)60-33(10-5-21-57-47(52)53)41(70)63-35-16-17-39(68)56-20-4-9-32(40(51)69)61-46(75)38(24-28-25-59-31-8-3-2-7-30(28)31)66-42(71)34(11-6-22-58-48(54)55)62-45(74)37(23-27-12-14-29(49)15-13-27)65-44(73)36(18-19-50)64-43(35)72/h2-3,7-8,12-15,25,32-38,59H,4-6,9-11,16-24,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.0800n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160175
PNG
(US9040663, 21)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(C)cc2C)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C50H75N17O9/c1-27-14-15-30(28(2)23-27)24-39-48(76)63-36(13-8-22-59-50(55)56)44(72)67-40(25-31-26-60-33-10-5-4-9-32(31)33)47(75)62-34(42(52)70)11-6-20-57-41(69)17-16-37(45(73)65-38(18-19-51)46(74)66-39)64-43(71)35(61-29(3)68)12-7-21-58-49(53)54/h4-5,9-10,14-15,23,26,34-40,60H,6-8,11-13,16-22,24-25,51H2,1-3H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t34-,35-,36-,37-,38-,39+,40-/s2
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0.0850n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM250643
PNG
(US9447148, 9.11)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1/C51H68N14O9/c1-3-4-15-36(59-30(2)66)45(69)61-38-19-20-43(67)56-23-21-39(48(72)63-40(44(52)68)26-32-17-18-33-13-8-9-14-34(33)24-32)62-46(70)37(16-10-22-57-51(53)54)60-49(73)41(25-31-11-6-5-7-12-31)64-50(74)42(65-47(38)71)27-35-28-55-29-58-35/h5-9,11-14,17-18,24,28-29,36-42H,3-4,10,15-16,19-23,25-27H2,1-2H3,(H2,52,68)(H,55,58)(H,56,67)(H,59,66)(H,60,73)(H,61,69)(H,62,70)(H,63,72)(H,64,74)(H,65,71)(H4,53,54,57)/t36-,37-,38-,39-,40+,41+,42-/s2
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0.0950n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50105880
PNG
(15-Acetylamino-6-(3-guanidino-propyl)-12-(3H-imida...)
Show SMILES CC(=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](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C48H60N14O8/c1-27(63)57-40-23-41(64)53-17-7-6-13-35(42(49)65)58-45(68)38(21-31-24-55-34-12-5-4-11-33(31)34)61-43(66)36(14-8-18-54-48(50)51)59-44(67)37(20-28-15-16-29-9-2-3-10-30(29)19-28)60-46(69)39(62-47(40)70)22-32-25-52-26-56-32/h2-5,9-12,15-16,19,24-26,35-40,55H,6-8,13-14,17-18,20-23H2,1H3,(H2,49,65)(H,52,56)(H,53,64)(H,57,63)(H,58,68)(H,59,67)(H,60,69)(H,61,66)(H,62,70)(H4,50,51,54)/t35-,36+,37-,38-,39+,40+/m1/s1
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PubMed
0.0960n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)

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
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
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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


Citation and Details
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
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
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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


Citation and Details
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
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50165929
PNG
(Ac-YR[CEH(pCl-dF)RWC]-NH2 | CHEMBL415661)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C60H78ClN19O13S2/c1-31(81)72-43(22-33-12-16-37(82)17-13-33)54(89)73-41(9-5-21-69-60(65)66)52(87)80-48-29-95-94-28-47(50(62)85)79-56(91)45(24-34-26-70-39-7-3-2-6-38(34)39)77-51(86)40(8-4-20-68-59(63)64)74-55(90)44(23-32-10-14-35(61)15-11-32)76-57(92)46(25-36-27-67-30-71-36)78-53(88)42(75-58(48)93)18-19-49(83)84/h2-3,6-7,10-17,26-27,30,40-48,70,82H,4-5,8-9,18-25,28-29H2,1H3,(H2,62,85)(H,67,71)(H,72,81)(H,73,89)(H,74,90)(H,75,93)(H,76,92)(H,77,86)(H,78,88)(H,79,91)(H,80,87)(H,83,84)(H4,63,64,68)(H4,65,66,69)/t40-,41-,42+,43-,44-,45+,46-,47+,48+/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160169
PNG
(US9040663, 15)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(C)cc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C49H73N17O9/c1-27-13-15-29(16-14-27)24-38-46(74)62-35(12-7-23-58-49(54)55)43(71)66-39(25-30-26-59-32-9-4-3-8-31(30)32)47(75)61-33(41(51)69)10-5-21-56-40(68)18-17-36(44(72)64-37(19-20-50)45(73)65-38)63-42(70)34(60-28(2)67)11-6-22-57-48(52)53/h3-4,8-9,13-16,26,33-39,59H,5-7,10-12,17-25,50H2,1-2H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38+,39-/s2
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US Patent
0.145n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

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
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
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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


Citation and Details
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
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
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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


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50134955
PNG
(CHEMBL2370968 | H-Tyr-Val-Nle-Gly-Pro-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)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)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/C78H104N20O15/c1-4-5-21-55(92-76(113)66(44(2)3)97-67(104)53(79)36-46-27-30-51(99)31-28-46)68(105)89-43-64(101)98-34-15-25-62(98)75(112)96-59(38-47-26-29-48-18-9-10-19-49(48)35-47)72(109)90-57(24-14-33-86-78(83)84)71(108)94-60(39-50-41-87-54-22-12-11-20-52(50)54)73(110)95-61(40-65(102)103)74(111)91-56(23-13-32-85-77(81)82)70(107)93-58(69(106)88-42-63(80)100)37-45-16-7-6-8-17-45/h6-12,16-20,22,26-31,35,41,44,53,55-62,66,87,99H,4-5,13-15,21,23-25,32-34,36-40,42-43,79H2,1-3H3,(H2,80,100)(H,88,106)(H,89,105)(H,90,109)(H,91,111)(H,92,113)(H,93,107)(H,94,108)(H,95,110)(H,96,112)(H,97,104)(H,102,103)(H4,81,82,85)(H4,83,84,86)/t53-,55-,56-,57-,58-,59?,60-,61-,62-,66-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160208
PNG
(US9040663, 54)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O
Show InChI InChI=1/C50H68F2N18O9/c1-26(71)64-35(9-5-17-60-49(54)55)43(74)66-36-10-4-16-59-41(72)15-14-34(42(53)73)65-47(78)39(21-28-23-62-33-8-3-2-7-30(28)33)69-44(75)37(11-6-18-61-50(56)57)67-46(77)38(20-27-12-13-31(51)32(52)19-27)68-48(79)40(70-45(36)76)22-29-24-58-25-63-29/h2-3,7-8,12-13,19,23-25,34-40,62H,4-6,9-11,14-18,20-22H2,1H3,(H2,53,73)(H,58,63)(H,59,72)(H,64,71)(H,65,78)(H,66,74)(H,67,77)(H,68,79)(H,69,75)(H,70,76)(H4,54,55,60)(H4,56,57,61)/t34-,35+,36-,37-,38+,39-,40-/s2
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0.25n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160170
PNG
(US9040663, 16)
Show SMILES COc1ccc(C[C@H]2NC(=O)[C@H](CCN)NC(=O)[C@H](CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)cc1
Show InChI InChI=1/C49H73N17O10/c1-27(67)60-34(11-6-22-57-48(52)53)42(70)63-36-17-18-40(68)56-21-5-10-33(41(51)69)61-47(75)39(25-29-26-59-32-9-4-3-8-31(29)32)66-43(71)35(12-7-23-58-49(54)55)62-46(74)38(24-28-13-15-30(76-2)16-14-28)65-45(73)37(19-20-50)64-44(36)72/h3-4,8-9,13-16,26,33-39,59H,5-7,10-12,17-25,50H2,1-2H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38+,39-/s2
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0.25n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160165
PNG
(US9040663, 11)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C48H70FN17O9/c1-26(67)60-33(10-5-21-57-47(52)53)41(70)63-35-16-17-39(68)56-20-4-9-32(40(51)69)61-46(75)38(24-28-25-59-31-8-3-2-7-30(28)31)66-42(71)34(11-6-22-58-48(54)55)62-45(74)37(23-27-12-14-29(49)15-13-27)65-44(73)36(18-19-50)64-43(35)72/h2-3,7-8,12-15,25,32-38,59H,4-6,9-11,16-24,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.25n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

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
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


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50105893
PNG
(9-(3-Guanidino-propyl)-15-(3H-imidazol-4-ylmethyl)...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C43H51N13O7/c44-38(59)35-22-50-36(57)13-14-37(58)52-34(19-28-21-47-23-51-28)42(63)54-32(17-24-11-12-25-6-1-2-7-26(25)16-24)40(61)53-31(10-5-15-48-43(45)46)39(60)55-33(41(62)56-35)18-27-20-49-30-9-4-3-8-29(27)30/h1-4,6-9,11-12,16,20-21,23,31-35,49H,5,10,13-15,17-19,22H2,(H2,44,59)(H,47,51)(H,50,57)(H,52,58)(H,53,61)(H,54,63)(H,55,60)(H,56,62)(H4,45,46,48)/t31-,32-,33+,34-,35?/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50165935
PNG
(Ac-YRMEHdFRWGSPPKD-NH2 | CHEMBL414718)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)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](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C84H119N25O21S/c1-46(111)97-60(37-48-23-25-51(112)26-24-48)77(125)99-55(19-10-31-92-83(87)88)72(120)102-58(29-35-131-2)76(124)101-57(27-28-68(114)115)75(123)107-63(39-50-42-91-45-96-50)79(127)105-61(36-47-14-4-3-5-15-47)78(126)100-56(20-11-32-93-84(89)90)74(122)106-62(38-49-41-94-53-17-7-6-16-52(49)53)71(119)95-43-67(113)98-64(44-110)81(129)109-34-13-22-66(109)82(130)108-33-12-21-65(108)80(128)103-54(18-8-9-30-85)73(121)104-59(70(86)118)40-69(116)117/h3-7,14-17,23-26,41-42,45,54-66,94,110,112H,8-13,18-22,27-40,43-44,85H2,1-2H3,(H2,86,118)(H,91,96)(H,95,119)(H,97,111)(H,98,113)(H,99,125)(H,100,126)(H,101,124)(H,102,120)(H,103,128)(H,104,121)(H,105,127)(H,106,122)(H,107,123)(H,114,115)(H,116,117)(H4,87,88,92)(H4,89,90,93)/t54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50105892
PNG
(12-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)
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)NC1=O)C(N)=O
Show InChI InChI=1S/C48H64N12O8/c1-3-4-15-36(55-28(2)61)43(64)60-40-26-41(62)52-21-10-9-17-35(42(49)63)56-46(67)39(25-32-27-54-34-16-8-7-14-33(32)34)59-44(65)37(18-11-22-53-48(50)51)57-45(66)38(58-47(40)68)24-29-19-20-30-12-5-6-13-31(30)23-29/h5-8,12-14,16,19-20,23,27,35-40,54H,3-4,9-11,15,17-18,21-22,24-26H2,1-2H3,(H2,49,63)(H,52,62)(H,55,61)(H,56,67)(H,57,66)(H,58,68)(H,59,65)(H,60,64)(H4,50,51,53)/t35-,36+,37+,38+,39-,40+/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50165927
PNG
(Ac-YR[CEH(pF-dF)RWC]-NH2 | CHEMBL407809)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C60H78FN19O13S2/c1-31(81)72-43(22-33-12-16-37(82)17-13-33)54(89)73-41(9-5-21-69-60(65)66)52(87)80-48-29-95-94-28-47(50(62)85)79-56(91)45(24-34-26-70-39-7-3-2-6-38(34)39)77-51(86)40(8-4-20-68-59(63)64)74-55(90)44(23-32-10-14-35(61)15-11-32)76-57(92)46(25-36-27-67-30-71-36)78-53(88)42(75-58(48)93)18-19-49(83)84/h2-3,6-7,10-17,26-27,30,40-48,70,82H,4-5,8-9,18-25,28-29H2,1H3,(H2,62,85)(H,67,71)(H,72,81)(H,73,89)(H,74,90)(H,75,93)(H,76,92)(H,77,86)(H,78,88)(H,79,91)(H,80,87)(H,83,84)(H4,63,64,68)(H4,65,66,69)/t40-,41-,42+,43-,44-,45+,46-,47+,48+/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50165924
PNG
(Ac-YR[CEH(d-2alpha-Nal)RWC]-NH2 | CHEMBL412523)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[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](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C64H81N19O13S2/c1-34(84)75-47(25-35-15-18-41(85)19-16-35)58(92)76-45(13-7-23-72-64(68)69)56(90)83-52-32-98-97-31-51(54(65)88)82-60(94)49(27-39-29-73-43-11-5-4-10-42(39)43)80-55(89)44(12-6-22-71-63(66)67)77-59(93)48(26-36-14-17-37-8-2-3-9-38(37)24-36)79-61(95)50(28-40-30-70-33-74-40)81-57(91)46(78-62(52)96)20-21-53(86)87/h2-5,8-11,14-19,24,29-30,33,44-52,73,85H,6-7,12-13,20-23,25-28,31-32H2,1H3,(H2,65,88)(H,70,74)(H,75,84)(H,76,92)(H,77,93)(H,78,96)(H,79,95)(H,80,89)(H,81,91)(H,82,94)(H,83,90)(H,86,87)(H4,66,67,71)(H4,68,69,72)/t44-,45-,46+,47-,48-,49+,50-,51+,52+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160201
PNG
(US9040663, 47)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](COCc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1/C54H73ClN16O10/c1-31(72)65-39(19-10-24-62-53(57)58)47(75)68-41-21-22-45(73)61-23-9-18-38(46(56)74)66-50(78)43(27-34-28-64-37-17-8-6-15-35(34)37)69-48(76)40(20-11-25-63-54(59)60)67-51(79)42(26-33-14-5-7-16-36(33)55)70-52(80)44(71-49(41)77)30-81-29-32-12-3-2-4-13-32/h2-8,12-17,28,38-44,64H,9-11,18-27,29-30H2,1H3,(H2,56,74)(H,61,73)(H,65,72)(H,66,78)(H,67,79)(H,68,75)(H,69,76)(H,70,80)(H,71,77)(H4,57,58,62)(H4,59,60,63)/t38-,39-,40-,41-,42+,43-,44-/s2
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160180
PNG
(US9040663, 26)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C48H69F2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-46(76)38(23-27-24-60-31-8-3-2-7-28(27)31)67-42(72)34(11-6-20-59-48(55)56)63-45(75)37(22-26-12-13-29(49)30(50)21-26)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,21,24,32-38,60H,4-6,9-11,14-20,22-23,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,76)(H,63,75)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50165931
PNG
(CHEMBL415165 | NDP-SYSMEHFRWGKPVG)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=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(=O)NCC(O)=O
Show InChI InChI=1S/C90H127N25O26S/c1-47(2)74(87(139)100-43-73(125)126)113-86(138)68-21-13-31-114(68)88(140)59(18-9-10-29-91)102-70(120)42-99-76(128)62(36-50-40-98-55-17-8-7-16-53(50)55)108-77(129)56(19-11-30-97-90(94)95)103-80(132)60(34-48-14-5-4-6-15-48)106-82(134)63(37-51-41-96-46-101-51)109-78(130)57(26-27-71(121)122)104-79(131)58(28-33-142-3)105-83(135)65(44-116)111-81(133)61(35-49-22-24-52(118)25-23-49)107-84(136)66(45-117)112-85(137)67-20-12-32-115(67)89(141)64(39-72(123)124)110-75(127)54(92)38-69(93)119/h4-8,14-17,22-25,40-41,46-47,54,56-68,74,98,116-118H,9-13,18-21,26-39,42-45,91-92H2,1-3H3,(H2,93,119)(H,96,101)(H,99,128)(H,100,139)(H,102,120)(H,103,132)(H,104,131)(H,105,135)(H,106,134)(H,107,136)(H,108,129)(H,109,130)(H,110,127)(H,111,133)(H,112,137)(H,113,138)(H,121,122)(H,123,124)(H,125,126)(H4,94,95,97)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells


Citation and Details
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
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
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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


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160217
PNG
(US9040663, 63)
Show SMILES C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H](CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2Cl)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O
Show InChI InChI=1/C55H75ClN16O10/c1-31(82-30-33-13-4-3-5-14-33)46-53(81)71-43(27-34-15-6-8-17-37(34)56)52(80)68-41(21-12-26-64-55(60)61)49(77)70-44(28-35-29-65-38-18-9-7-16-36(35)38)51(79)67-39(47(57)75)19-10-24-62-45(74)23-22-42(50(78)72-46)69-48(76)40(66-32(2)73)20-11-25-63-54(58)59/h3-9,13-18,29,31,39-44,46,65H,10-12,19-28,30H2,1-2H3,(H2,57,75)(H,62,74)(H,66,73)(H,67,79)(H,68,80)(H,69,76)(H,70,77)(H,71,81)(H,72,78)(H4,58,59,63)(H4,60,61,64)/t31-,39+,40+,41+,42+,43-,44+,46+/s2
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0.350n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50105889
PNG
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C39H48N10O6/c40-35(52)29-11-5-17-43-33(50)15-16-34(51)46-31(20-23-13-14-24-7-1-2-8-25(24)19-23)37(54)48-30(12-6-18-44-39(41)42)36(53)49-32(38(55)47-29)21-26-22-45-28-10-4-3-9-27(26)28/h1-4,7-10,13-14,19,22,29-32,45H,5-6,11-12,15-18,20-21H2,(H2,40,52)(H,43,50)(H,46,51)(H,47,55)(H,48,54)(H,49,53)(H4,41,42,44)/t29-,30+,31+,32-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)

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
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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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


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135736
PNG
(US8846601, 121 | US9458201, 121)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCCNC(=O)C[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](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C48H71N17O9/c1-27(66)59-32(16-9-21-56-47(51)52)41(69)60-33-15-7-8-20-55-39(67)25-36(40(50)68)63-46(74)38(24-29-26-58-31-14-6-5-13-30(29)31)65-43(71)34(17-10-22-57-48(53)54)61-45(73)37(23-28-11-3-2-4-12-28)64-44(72)35(18-19-49)62-42(33)70/h2-6,11-14,26,32-38,58H,7-10,15-25,49H2,1H3,(H2,50,68)(H,55,67)(H,59,66)(H,60,69)(H,61,73)(H,62,70)(H,63,74)(H,64,72)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.400n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US9458201 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135752
PNG
(US8846601, 137 | US9458201, 137)
Show SMILES NCC[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCCC1
Show InChI InChI=1/C53H79N17O9/c54-23-22-39-48(76)68-40(27-31-13-3-1-4-14-31)49(77)66-38(21-12-26-62-53(58)59)47(75)69-41(28-33-30-63-35-18-8-7-17-34(33)35)50(78)64-36(44(55)72)19-9-10-24-60-43(71)29-42(51(79)67-39)70-46(74)37(20-11-25-61-52(56)57)65-45(73)32-15-5-2-6-16-32/h1,3-4,7-8,13-14,17-18,30,32,36-42,63H,2,5-6,9-12,15-16,19-29,54H2,(H2,55,72)(H,60,71)(H,64,78)(H,65,73)(H,66,77)(H,67,79)(H,68,76)(H,69,75)(H,70,74)(H4,56,57,61)(H4,58,59,62)/t36-,37-,38-,39-,40+,41-,42-/s2
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0.400n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US9458201 (2016)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189024
PNG
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O
Show InChI InChI=1S/C42H49FN8O6/c1-26(52)48-34(23-28-12-17-33(53)18-13-28)38(54)49-35(24-27-10-15-32(43)16-11-27)40(56)50-20-21-51(41(57)36(50)8-5-19-47-42(44)45)37(39(55)46-2)25-29-9-14-30-6-3-4-7-31(30)22-29/h3-4,6-7,9-18,22,34-37,53H,5,8,19-21,23-25H2,1-2H3,(H,46,55)(H,48,52)(H,49,54)(H4,44,45,47)/t34-,35+,36-,37-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135736
PNG
(US8846601, 121 | US9458201, 121)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCCNC(=O)C[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](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C48H71N17O9/c1-27(66)59-32(16-9-21-56-47(51)52)41(69)60-33-15-7-8-20-55-39(67)25-36(40(50)68)63-46(74)38(24-29-26-58-31-14-6-5-13-30(29)31)65-43(71)34(17-10-22-57-48(53)54)61-45(73)37(23-28-11-3-2-4-12-28)64-44(72)35(18-19-49)62-42(33)70/h2-6,11-14,26,32-38,58H,7-10,15-25,49H2,1H3,(H2,50,68)(H,55,67)(H,59,66)(H,60,69)(H,61,73)(H,62,70)(H,63,74)(H,64,72)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.400n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US8846601 (2014)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135752
PNG
(US8846601, 137 | US9458201, 137)
Show SMILES NCC[C@@H]1NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCCC1
Show InChI InChI=1/C53H79N17O9/c54-23-22-39-48(76)68-40(27-31-13-3-1-4-14-31)49(77)66-38(21-12-26-62-53(58)59)47(75)69-41(28-33-30-63-35-18-8-7-17-34(33)35)50(78)64-36(44(55)72)19-9-10-24-60-43(71)29-42(51(79)67-39)70-46(74)37(20-11-25-61-52(56)57)65-45(73)32-15-5-2-6-16-32/h1,3-4,7-8,13-14,17-18,30,32,36-42,63H,2,5-6,9-12,15-16,19-29,54H2,(H2,55,72)(H,60,71)(H,64,78)(H,65,73)(H,66,77)(H,67,79)(H,68,76)(H,69,75)(H,70,74)(H4,56,57,61)(H4,58,59,62)/t36-,37-,38-,39-,40+,41-,42-/s2
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0.400n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US8846601 (2014)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160173
PNG
(US9040663, 19)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cccc(C)c2)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C49H73N17O9/c1-27-9-5-10-29(23-27)24-38-46(74)62-35(15-8-22-58-49(54)55)43(71)66-39(25-30-26-59-32-12-4-3-11-31(30)32)47(75)61-33(41(51)69)13-6-20-56-40(68)17-16-36(44(72)64-37(18-19-50)45(73)65-38)63-42(70)34(60-28(2)67)14-7-21-57-48(52)53/h3-5,9-12,23,26,33-39,59H,6-8,13-22,24-25,50H2,1-2H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t33-,34-,35-,36-,37-,38+,39-/s2
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0.400n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50165941
PNG
(Ac-R[CEHdFRWC]-NH2 | CHEMBL408257)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[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)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C51H70N18O11S2/c1-27(70)62-33(13-7-17-58-50(53)54)43(74)69-40-25-82-81-24-39(42(52)73)68-47(78)37(20-29-22-60-32-12-6-5-11-31(29)32)66-44(75)34(14-8-18-59-51(55)56)63-46(77)36(19-28-9-3-2-4-10-28)65-48(79)38(21-30-23-57-26-61-30)67-45(76)35(64-49(40)80)15-16-41(71)72/h2-6,9-12,22-23,26,33-40,60H,7-8,13-21,24-25H2,1H3,(H2,52,73)(H,57,61)(H,62,70)(H,63,77)(H,64,80)(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,74)(H,71,72)(H4,53,54,58)(H4,55,56,59)/t33-,34-,35+,36-,37+,38-,39+,40+/m1/s1
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0.440n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160178
PNG
(US9040663, 24)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1/C48H70N18O11/c1-26(67)59-33(10-5-21-56-47(51)52)41(70)62-35-16-17-39(68)55-20-4-9-32(40(50)69)60-46(75)38(24-28-25-58-31-8-3-2-7-30(28)31)65-42(71)34(11-6-22-57-48(53)54)61-45(74)37(23-27-12-14-29(15-13-27)66(76)77)64-44(73)36(18-19-49)63-43(35)72/h2-3,7-8,12-15,25,32-38,58H,4-6,9-11,16-24,49H2,1H3,(H2,50,69)(H,55,68)(H,59,67)(H,60,75)(H,61,74)(H,62,70)(H,63,72)(H,64,73)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t32-,33-,34-,35-,36-,37+,38-/s2
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0.450n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50225589
PNG
((4-(1-((3-fluoro-4-methoxybenzylamino)methyl)cyclo...)
Show SMILES COc1ccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)cc1F
Show InChI InChI=1S/C33H46ClFN4O2/c1-24(2)38-21-28(26-8-10-27(34)11-9-26)29(22-38)32(40)37-15-17-39(18-16-37)33(13-5-4-6-14-33)23-36-20-25-7-12-31(41-3)30(35)19-25/h7-12,19,24,28-29,36H,4-6,13-18,20-23H2,1-3H3/t28-,29+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Displacement of [12]NDPMSH from human MC4R expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50105888
PNG
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)
Show SMILES NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1
Show InChI InChI=1S/C40H51N11O6/c41-40(42)45-19-7-13-30-36(54)50-33(22-27-23-46-29-11-4-3-10-28(27)29)38(56)49-31(39(57)51-43)12-5-6-18-44-34(52)16-17-35(53)47-32(37(55)48-30)21-24-14-15-25-8-1-2-9-26(25)20-24/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22,43H2,(H,44,52)(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,51,57)(H4,41,42,45)/t30-,31+,32-,33+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)

More data for this
Ligand-Target Pair
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