Found 2542 hits of ec50 data for polymerid = 50000353,50001133,6546 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50223719
(CHEMBL3348530)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[nH]cn2)NC1=O)C(O)=O |wU:22.22,58.61,36.38,4.3,wD:9.8,18.72,47.49,(-2.84,-13.67,;-1.44,-13.06,;-.19,-13.98,;1.22,-13.36,;2.45,-14.28,;2.29,-15.82,;3.87,-13.67,;5.11,-14.58,;4.05,-12.14,;5.46,-11.52,;6.26,-12.84,;7.39,-13.9,;6.5,-15.16,;8.75,-14.6,;10.25,-14.91,;11.79,-14.81,;13.26,-14.29,;14.51,-13.41,;15.48,-12.21,;16.1,-10.8,;16.3,-9.27,;17.84,-9.27,;16.1,-7.75,;17.58,-7.33,;18.66,-6.24,;18.4,-4.7,;19.77,-3.99,;20.87,-5.08,;22.4,-4.98,;23.27,-6.26,;22.57,-7.64,;21.03,-7.74,;20.17,-6.46,;15.48,-6.34,;14.51,-5.13,;15.56,-4.01,;13.26,-4.25,;13.95,-2.87,;15.49,-2.82,;16.21,-1.44,;17.75,-1.37,;18.45,-.01,;19.98,.06,;17.62,1.3,;11.79,-3.73,;10.25,-3.63,;10.16,-2.1,;8.75,-3.94,;8.23,-2.49,;9.23,-1.31,;10.76,-1.59,;11.76,-.43,;11.23,1.02,;9.72,1.3,;8.72,.13,;7.39,-4.66,;6.26,-5.7,;5.06,-4.73,;5.46,-7.02,;4.05,-6.4,;3.87,-4.87,;5.01,-3.84,;4.36,-2.43,;2.84,-2.61,;2.54,-4.11,;5.04,-8.51,;5.04,-10.04,;3.52,-10.25,;16.79,-13.01,;18.14,-12.28,;16.76,-14.55,)| 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/h4-8,12-14,16,25-27,32,34-39,55H,2-3,9-11,15,17-24,49H2,1H3,(H,52,56)(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)/t32-,34-,35-,36+,37-,38-,39-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
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| PubMed
| n/a | n/a | n/a | n/a | <0.0100 | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Intracellular level of cAMP in cells expressing the melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM82411
(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 |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| 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 | PDB
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| PC cid
PC sid
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| n/a | n/a | n/a | n/a | 0.0170 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Evaluated for agonist activity at cloned mammalian Melanocortin 4 receptor |
J Med Chem 38: 3454-61 (1995)
BindingDB Entry DOI: 10.7270/Q2Z32094 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
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| Purchase
CHEMBL
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MCE
PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0170 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Effective concentration required for the biological activity against human Melanocortin 4 receptor |
J Med Chem 46: 4215-31 (2003)
Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50033130
((3R,6S,9R,12S,15S,23R)-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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C50H68ClN15O9/c1-3-4-11-36(60-28(2)67)44(70)66-41-24-42(68)56-19-8-7-13-35(43(52)69)61-47(73)39(22-30-25-58-34-12-6-5-10-33(30)34)64-45(71)37(14-9-20-57-50(53)54)62-46(72)38(21-29-15-17-31(51)18-16-29)63-48(74)40(65-49(41)75)23-32-26-55-27-59-32/h5-6,10,12,15-18,25-27,35-41,58H,3-4,7-9,11,13-14,19-24H2,1-2H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,75)(H,66,70)(H4,53,54,57)/t35-,36+,37+,38-,39-,40+,41+/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | n/a | n/a | 0.0180 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Evaluated for agonist activity at cloned mammalian Melanocortin 4 receptor |
J Med Chem 38: 3454-61 (1995)
BindingDB Entry DOI: 10.7270/Q2Z32094 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50033133
((3R,6S,9R,12S,15S,23R)-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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C50H68FN15O9/c1-3-4-11-36(60-28(2)67)44(70)66-41-24-42(68)56-19-8-7-13-35(43(52)69)61-47(73)39(22-30-25-58-34-12-6-5-10-33(30)34)64-45(71)37(14-9-20-57-50(53)54)62-46(72)38(21-29-15-17-31(51)18-16-29)63-48(74)40(65-49(41)75)23-32-26-55-27-59-32/h5-6,10,12,15-18,25-27,35-41,58H,3-4,7-9,11,13-14,19-24H2,1-2H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,75)(H,66,70)(H4,53,54,57)/t35-,36+,37+,38-,39-,40+,41+/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | n/a | n/a | 0.0190 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Evaluated for agonist activity at cloned mammalian Melanocortin 4 receptor |
J Med Chem 38: 3454-61 (1995)
BindingDB Entry DOI: 10.7270/Q2Z32094 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM82411
(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 |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| 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 | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Effective concentration of peptide at 50% maximal cAMP generation |
J Med Chem 46: 3728-33 (2003)
Article DOI: 10.1021/jm030111j
BindingDB Entry DOI: 10.7270/Q2125TDT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50503227
(CHEMBL4460053)Show SMILES CCCCC(NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C51H71N15O9/c1-3-4-16-37(60-30(2)67)45(70)63-39-20-21-43(68)56-22-11-10-18-36(44(52)69)61-49(74)41(25-32-27-58-35-17-9-8-15-34(32)35)65-46(71)38(19-12-23-57-51(53)54)62-48(73)40(24-31-13-6-5-7-14-31)64-50(75)42(66-47(39)72)26-33-28-55-29-59-33/h5-9,13-15,17,27-29,36-42,58H,3-4,10-12,16,18-26H2,1-2H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,74)(H,62,73)(H,63,70)(H,64,75)(H,65,71)(H,66,72)(H4,53,54,57)/t36-,37?,38-,39-,40+,41-,42-/m0/s1 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Agonist activity at human FLAG-tagged MC4R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 2 hrs by AlphaScr... |
J Med Chem 62: 144-158 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00238
BindingDB Entry DOI: 10.7270/Q2VH5S39 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50263819
(CHEMBL4060381)Show SMILES C[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(C)=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)N[C@@H](CS)C(N)=O |r| Show InChI InChI=1S/C49H70N18O9S2/c1-26(60-47(76)39(24-78)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52)41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(45(74)66-38(23-77)40(50)69)19-29-21-58-32-13-7-6-12-31(29)32/h3-7,10-13,21-22,25-26,33-39,58,77-78H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1 | PDB
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The University of Queensland
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R expressed in high doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 15 mins by HT... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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The University of Queensland
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R expressed in high doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 15 mins by HT... |
J Med Chem 61: 3674-3684 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50158406
(Ac-Nle-c[Asp-His-DPhe-Arg-Trp-Lys]-NH2 | CHEMBL224...)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)NC(=O)C1CC(O)=O)C(N)=O |r,wU:39.41,50.52,21.80,12.11,wD:25.25,61.64,4.4,(29.19,-27.12,;27.85,-27.89,;26.52,-27.12,;25.19,-27.89,;23.86,-27.12,;22.52,-27.89,;22.52,-29.43,;21.19,-30.2,;23.86,-30.2,;23.86,-25.58,;25.18,-24.81,;22.48,-24.88,;22.48,-23.34,;21.24,-22.58,;19.81,-23.34,;19.81,-24.88,;18.47,-22.58,;18.62,-21.05,;17.36,-20.38,;17.37,-18.88,;18.67,-18.13,;18.73,-16.56,;20.05,-15.76,;21.28,-16.68,;21.28,-18.22,;22.59,-15.93,;22.59,-14.39,;21.26,-13.62,;19.85,-14.24,;18.82,-13.1,;19.59,-11.76,;19.11,-10.3,;20.14,-9.15,;21.65,-9.47,;22.13,-10.93,;21.1,-12.08,;23.88,-16.78,;25.15,-15.91,;25.15,-14.37,;26.41,-16.64,;26.41,-15.1,;27.75,-14.33,;27.75,-12.79,;29.08,-12.02,;29.08,-10.48,;27.75,-9.71,;30.41,-9.71,;27.75,-15.87,;29.06,-16.67,;30.39,-15.9,;29,-18.19,;30.33,-18.96,;31.65,-18.19,;33.01,-18.98,;34.33,-18.22,;34.33,-16.7,;33,-15.93,;31.67,-16.7,;28.58,-18.63,;27.75,-21.04,;29.24,-21.45,;26.85,-22.56,;27.89,-23.7,;29.39,-23.37,;30.01,-21.96,;31.55,-22.11,;31.9,-23.61,;30.56,-24.37,;25.33,-22.28,;24.81,-20.84,;25.8,-19.66,;23.29,-20.57,;21.89,-20.56,;20.54,-20.19,;20.18,-18.84,;19.54,-21.18,;17.44,-15.73,;16.11,-16.61,;17.44,-14.19,)| Show InChI InChI=1S/C53H73N15O11/c1-3-4-16-38(62-30(2)69)48(75)65-40-26-44(70)58-20-11-10-18-37(46(54)73)63-51(78)42(23-32-27-60-36-17-9-8-15-34(32)36)68-49(76)39(19-12-21-59-53(55)56)64-50(77)41(22-31-13-6-5-7-14-31)67-52(79)43(24-33-28-57-29-61-33)66-47(74)35(40)25-45(71)72/h5-9,13-15,17,27-29,35,37-43,60H,3-4,10-12,16,18-26H2,1-2H3,(H2,54,73)(H,57,61)(H,58,70)(H,62,69)(H,63,78)(H,64,77)(H,65,75)(H,66,74)(H,67,79)(H,68,76)(H,71,72)(H4,55,56,59)/t35?,37-,38-,39-,40-,41+,42-,43-/m0/s1 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase assay |
J Med Chem 47: 6702-10 (2004)
Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Michigan Medical Center
Curated by ChEMBL
| Assay Description
Effective concentration for intracellular cAMP accumulation in L-cells expressing Melanocortin 4 receptor |
J Med Chem 40: 1738-48 (1997)
Article DOI: 10.1021/jm960845e
BindingDB Entry DOI: 10.7270/Q29K4BWK |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50389783
(CHEMBL2070245)Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:22.21,28.27,63.62,113.121,102.104,91.93,73.125,wD:37.36,49.48,55.54,77.77,115.118,(23.51,-35.85,;21.97,-35.83,;21.23,-34.48,;19.69,-34.45,;18.94,-33.11,;17.4,-33.08,;16.61,-34.4,;15.07,-34.37,;14.28,-35.69,;12.74,-35.66,;11.99,-34.32,;10.45,-34.29,;9.7,-32.94,;8.16,-32.92,;7.37,-34.24,;8.12,-35.58,;9.66,-35.61,;7.32,-36.9,;8.07,-38.25,;9.61,-38.28,;10.4,-36.95,;10.36,-39.62,;11.9,-39.65,;12.69,-38.33,;14.23,-38.35,;12.65,-40.99,;14.19,-41.02,;11.85,-42.31,;12.6,-43.66,;14.15,-43.69,;14.94,-42.36,;16.48,-42.39,;17.22,-43.74,;17.27,-41.07,;11.81,-44.98,;10.28,-44.95,;12.56,-46.33,;11.77,-47.65,;10.23,-47.62,;9.44,-48.94,;7.9,-48.91,;7.11,-50.23,;5.57,-50.2,;4.77,-51.52,;3.23,-51.49,;5.52,-52.87,;12.52,-48.99,;14.06,-49.02,;11.73,-50.31,;12.48,-51.66,;11.69,-52.98,;10.14,-52.95,;14.02,-51.69,;14.81,-50.36,;14.77,-53.03,;16.3,-53.05,;17.05,-54.4,;16.26,-55.72,;17,-57.07,;16.21,-58.39,;17.09,-51.74,;16.35,-50.39,;18.64,-51.76,;19.42,-50.44,;18.85,-49.01,;19.89,-47.39,;19.88,-39.08,;18.79,-37.99,;41.87,-39.02,;41.83,-44.22,;40.49,-44.97,;40.46,-46.51,;39.12,-47.26,;39.1,-48.81,;37.75,-49.55,;36.43,-48.76,;36.45,-47.23,;35.09,-49.52,;35.06,-51.06,;36.38,-51.84,;37.8,-51.24,;38.81,-52.4,;38.02,-53.72,;38.48,-55.19,;37.43,-56.32,;35.93,-55.98,;35.48,-54.51,;36.52,-53.38,;33.76,-48.73,;32.42,-49.48,;32.39,-51.01,;31.09,-48.69,;31.12,-47.15,;32.46,-46.39,;32.49,-44.86,;33.82,-44.11,;33.85,-42.57,;32.53,-41.78,;35.2,-41.82,;29.75,-49.43,;28.43,-48.65,;28.45,-47.11,;27.09,-49.4,;27.06,-50.94,;28.38,-51.73,;29.73,-50.98,;31.05,-51.77,;31.02,-53.3,;29.69,-54.06,;28.36,-53.27,;25.76,-48.61,;24.42,-49.36,;24.39,-50.9,;23.1,-48.57,;23.2,-47.02,;21.56,-46.66,;20.88,-45.13,;20.71,-48.11,;21.82,-49.38,;20.95,-50.66,;21.62,-52.04,;40.42,-49.6,;41.77,-48.84,;40.4,-51.13,)| Show InChI InChI=1S/C84H134N22O18/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-36-69(111)95-48-71(113)96-65(50-107)79(121)101-61(37-39-68(85)110)76(118)98-59(34-24-26-42-92-83(87)88)75(117)105-66(51-108)80(122)100-58(31-6-4-2)73(115)102-62-38-40-70(112)91-41-25-23-33-57(72(86)114)97-78(120)64(45-53-47-94-56-32-22-21-30-55(53)56)103-74(116)60(35-27-43-93-84(89)90)99-77(119)63(44-52-28-18-17-19-29-52)104-81(123)67-46-54(109)49-106(67)82(62)124/h17-19,21-22,28-30,32,47,54,57-67,94,107-109H,3-16,20,23-27,31,33-46,48-51H2,1-2H3,(H2,85,110)(H2,86,114)(H,91,112)(H,95,111)(H,96,113)(H,97,120)(H,98,118)(H,99,119)(H,100,122)(H,101,121)(H,102,115)(H,103,116)(H,104,123)(H,105,117)(H4,87,88,92)(H4,89,90,93)/t54-,57+,58+,59+,60+,61+,62+,63-,64+,65+,66+,67+/m1/s1 | PDB
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Novo Nordisk A/S
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant MC4 receptor expressed in BHK570 cells assessed as induction of cMAP accumulation in presence of 0.1% human ser... |
J Med Chem 55: 1969-77 (2012)
Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50031473
(CHEMBL3358549)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(CCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r| | PDB
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University of Cergy-Pontoise
Curated by ChEMBL
| Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay |
J Med Chem 57: 9424-34 (2014)
Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay |
ACS Med Chem Lett 6: 123-7 (2015)
Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50581319
(BIM-22493 | RM-493 | SETMELANOTIDE | Setmelanotide)Show SMILES C[C@H]1NC(=O)[C@H](CSSC[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](Cc2c[nH]cn2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| | PDB
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TBA
| Assay Description
Agonist activity at human melanocortin receptor 4 expressed in human T-REx-293 cells using high doxycycline assessed as stimulation of intracellular ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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PubMed
| n/a | n/a | n/a | n/a | >0.0501 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human melanocortin receptor 4 expressed in human T-REx-293 cells using high doxycycline assessed as stimulation of intracellular ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50031479
(CHEMBL3358545)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCc2cn(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r| Show InChI InChI=1S/C51H69N17O8/c1-3-4-16-38(59-30(2)69)45(71)61-39-18-10-14-33-28-68(67-66-33)22-20-37(44(52)70)60-49(75)42(24-32-26-57-36-17-9-8-15-35(32)36)64-47(73)40(19-11-21-56-51(53)54)62-48(74)41(23-31-12-6-5-7-13-31)63-50(76)43(65-46(39)72)25-34-27-55-29-58-34/h5-9,12-13,15,17,26-29,37-43,57H,3-4,10-11,14,16,18-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,75)(H,61,71)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/m0/s1 | PDB
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University of Cergy-Pontoise
Curated by ChEMBL
| Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay |
J Med Chem 57: 9424-34 (2014)
Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50410399
(CHEMBL2096712)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NC(=O)[C@H](CCCCN)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 Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-35(58-29(2)66)43(68)64-41-25-42(67)65-45(70)36(18-10-11-20-51)59-47(72)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(69)37(19-12-21-55-50(52)53)60-46(71)38(22-30-13-6-5-7-14-30)61-48(73)40(63-49(41)74)24-32-27-54-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,66)(H,59,72)(H,60,71)(H,61,73)(H,62,69)(H,63,74)(H,64,68)(H4,52,53,55)(H,65,67,70)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
Effective concentration for mouse Melanocortin-4 receptor |
J Med Chem 48: 3060-75 (2005)
Article DOI: 10.1021/jm049010r
BindingDB Entry DOI: 10.7270/Q2PR7WS4 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Effective concentration required for the biological activity against human Melanocortin 4 receptor |
J Med Chem 46: 4215-31 (2003)
Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50031488
(CHEMBL3358541)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C50H71N17O8/c1-4-6-17-36(43(51)69)61-48(74)41(25-32-27-57-35-19-12-11-16-34(32)35)65-45(71)38(20-13-22-56-50(52)53)62-47(73)40(24-31-14-9-8-10-15-31)64-49(75)42(26-33-28-55-29-58-33)66-46(72)39(21-23-59-67-54)63-44(70)37(18-7-5-2)60-30(3)68/h8-12,14-16,19,27-29,36-42,57H,4-7,13,17-18,20-26H2,1-3H3,(H2,51,69)(H,55,58)(H,60,68)(H,61,74)(H,62,73)(H,63,70)(H,64,75)(H,65,71)(H,66,72)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-,42-/m0/s1 | PDB
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University of Cergy-Pontoise
Curated by ChEMBL
| Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay |
J Med Chem 57: 9424-34 (2014)
Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50503224
(CHEMBL4569789)Show SMILES CCCCC(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)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C76H108N20O18/c1-5-6-19-51(87-73(112)60(40-98)94-69(108)56(34-45-24-26-48(100)27-25-45)91-72(111)59(39-97)85-43(4)99)65(104)88-53(28-29-62(101)102)67(106)93-58(36-47-38-81-41-84-47)71(110)90-55(33-44-16-8-7-9-17-44)68(107)86-52(22-14-31-82-76(79)80)66(105)92-57(35-46-37-83-50-20-11-10-18-49(46)50)70(109)89-54(21-12-13-30-77)75(114)96-32-15-23-61(96)74(113)95-63(42(2)3)64(78)103/h7-11,16-18,20,24-27,37-38,41-42,51-61,63,83,97-98,100H,5-6,12-15,19,21-23,28-36,39-40,77H2,1-4H3,(H2,78,103)(H,81,84)(H,85,99)(H,86,107)(H,87,112)(H,88,104)(H,89,109)(H,90,110)(H,91,111)(H,92,105)(H,93,106)(H,94,108)(H,95,113)(H,101,102)(H4,79,80,82)/t51?,52-,53-,54-,55+,56-,57-,58-,59-,60-,61-,63-/m0/s1 | PDB
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University of Minnesota
Curated by ChEMBL
| Assay Description
Agonist activity at human FLAG-tagged MC4R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 2 hrs by AlphaScr... |
J Med Chem 62: 144-158 (2019)
Article DOI: 10.1021/acs.jmedchem.8b00238
BindingDB Entry DOI: 10.7270/Q2VH5S39 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50166123
(CHEMBL408600 | [(2S,5R,8R,11R,14S,17R)-1-(2-Acetyl...)Show SMILES CCCCC(NC(C)=O)C(=O)N1[C@@H](CC(O)=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C1=O Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-36(58-29(2)65)48(73)64-41(25-42(66)67)47(72)63-40(24-32-27-54-28-57-32)46(71)61-38(22-30-13-6-5-7-14-30)44(69)59-35(19-12-21-55-50(52)53)43(68)62-39(23-31-26-56-34-17-9-8-15-33(31)34)45(70)60-37(49(64)74)18-10-11-20-51/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,66,67)(H4,52,53,55)/t35-,36?,37-,38-,39+,40-,41+/m1/s1 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor |
J Med Chem 48: 3328-36 (2005)
Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165929
(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 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human Melanocortin-4 receptor as peptide required for 50% maximal cAMP release (n > or =2) |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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University of Cergy-Pontoise
Curated by ChEMBL
| Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay |
J Med Chem 57: 9424-34 (2014)
Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50031469
(CHEMBL3358552)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r| | PDB
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University of Cergy-Pontoise
Curated by ChEMBL
| Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay |
J Med Chem 57: 9424-34 (2014)
Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50114736
(CHEMBL386583 | [1-(2-Acetylamino-hexanoyl)-17-(4-a...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N1[C@@H](CC(O)=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C1=O Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-36(58-29(2)65)48(73)64-41(25-42(66)67)47(72)63-40(24-32-27-54-28-57-32)46(71)61-38(22-30-13-6-5-7-14-30)44(69)59-35(19-12-21-55-50(52)53)43(68)62-39(23-31-26-56-34-17-9-8-15-33(31)34)45(70)60-37(49(64)74)18-10-11-20-51/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,66,67)(H4,52,53,55)/t35-,36+,37-,38+,39+,40-,41+/m1/s1 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
In vitro activaction of mouse recombinant Melanocortin-4 receptor. |
J Med Chem 45: 2801-10 (2002)
BindingDB Entry DOI: 10.7270/Q27945DV |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
Activity in mouse melanocortin-4 receptor stably expressed in HEK293 cells |
J Med Chem 45: 5736-44 (2002)
BindingDB Entry DOI: 10.7270/Q2Q2410R |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity to the mouse Melanocortin-4 receptor (mMC4R) |
J Med Chem 45: 3073-81 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9CHF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144873
(Ac-Nle-c[Asp-His-DPhe-Arg-Trp-Gly-Lys]-NH2 | CHEMB...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)ONCCCC[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=1S/C50H69N15O10/c1-28(2)20-37(59-29(3)66)45(70)65-41-24-42(67)75-58-19-10-9-16-35(43(51)68)60-47(72)39(22-31-25-56-34-15-8-7-14-33(31)34)63-44(69)36(17-11-18-55-50(52)53)61-46(71)38(21-30-12-5-4-6-13-30)62-48(73)40(64-49(41)74)23-32-26-54-27-57-32/h4-8,12-15,25-28,35-41,56,58H,9-11,16-24H2,1-3H3,(H2,51,68)(H,54,57)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,69)(H,64,74)(H,65,70)(H4,52,53,55)/t35-,36+,37+,38+,39-,40+,41+/m1/s1 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
Effective concentration against mouse melanocortin MC4 receptor |
J Med Chem 47: 2194-207 (2004)
Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(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 | PDB
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The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells |
J Med Chem 51: 1026-34 (2008)
Article DOI: 10.1021/jm701093y
BindingDB Entry DOI: 10.7270/Q29W0GC3 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50031492
(CHEMBL3358539)Show SMILES CCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C51H73N17O8/c1-4-6-9-20-37(44(52)70)62-49(75)42(26-33-28-58-36-19-13-12-17-35(33)36)66-46(72)39(21-14-23-57-51(53)54)63-48(74)41(25-32-15-10-8-11-16-32)65-50(76)43(27-34-29-56-30-59-34)67-47(73)40(22-24-60-68-55)64-45(71)38(18-7-5-2)61-31(3)69/h8,10-13,15-17,19,28-30,37-43,58H,4-7,9,14,18,20-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,74)(H,64,71)(H,65,76)(H,66,72)(H,67,73)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/m0/s1 | PDB
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University of Cergy-Pontoise
Curated by ChEMBL
| Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay |
J Med Chem 57: 9424-34 (2014)
Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50138298
(CHEMBL338811 | Piperidine-4-carboxylic acid ((R)-1...)Show SMILES CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCNCC1 Show InChI InChI=1S/C30H40ClN5O4S/c1-41(39,40)36(21-23-6-7-23)28-5-3-2-4-27(28)34-16-18-35(19-17-34)30(38)26(20-22-8-10-25(31)11-9-22)33-29(37)24-12-14-32-15-13-24/h2-5,8-11,23-24,26,32H,6-7,12-21H2,1H3,(H,33,37)/t26-/m1/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Intracellular level of cAMP in cells expressing the melanocortin 4 receptor |
Bioorg Med Chem Lett 14: 377-81 (2003)
BindingDB Entry DOI: 10.7270/Q2902363 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50268805
(Ac-Tyr-Val-Nle-Gly-His-DPhe-trans-Xaa-Trp-Asp-Arg-...)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)N1C[C@@H](C[C@H]1C(=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)N=C(N)N |r,wU:8.8,45.46,59.63,96.101,35.35,77.82,wD:4.4,57.117,12.21,63.66,85.90,(3.89,-26.77,;2.57,-27.55,;1.22,-26.79,;-.1,-27.57,;-1.45,-26.81,;-2.78,-27.6,;-2.76,-29.14,;-1.41,-29.89,;-4.09,-29.92,;-4.07,-31.46,;-5.4,-32.25,;-6.73,-31.49,;-5.38,-33.78,;-4.04,-34.54,;-2.72,-33.75,;-2.73,-32.22,;-1.4,-31.43,;-.06,-32.19,;1.27,-31.4,;-.04,-33.74,;-1.37,-34.52,;-6.71,-34.57,;-6.71,-36.11,;-8.02,-36.89,;-5.35,-36.86,;-5.43,-29.17,;-5.44,-27.63,;-6.74,-29.95,;-1.46,-25.28,;-2.8,-24.52,;-.14,-24.49,;-.16,-22.95,;1.17,-22.16,;2.52,-22.92,;1.16,-20.62,;2.48,-19.84,;2.46,-18.3,;1.13,-17.55,;.96,-16.02,;-.56,-15.71,;-1.31,-17.05,;-.27,-18.18,;3.82,-20.6,;3.85,-22.14,;5.15,-19.82,;6.5,-20.57,;6.51,-22.12,;7.85,-22.87,;7.87,-24.42,;9.21,-25.18,;10.53,-24.39,;10.51,-22.85,;9.17,-22.09,;7.86,-19.86,;9.11,-20.76,;7.93,-18.32,;6.9,-17.17,;7.69,-15.84,;9.19,-16.18,;9.34,-17.71,;10.66,-18.5,;10.65,-20.04,;12,-17.74,;13.32,-18.54,;13.31,-20.08,;14.59,-20.94,;16.03,-20.4,;16.98,-21.61,;16.14,-22.89,;16.51,-24.38,;15.41,-25.47,;13.93,-25.05,;13.55,-23.56,;14.65,-22.48,;14.67,-17.78,;14.68,-16.24,;15.99,-18.57,;17.33,-17.82,;17.34,-16.27,;18.68,-15.52,;20.02,-16.29,;18.7,-13.97,;18.66,-18.59,;18.64,-20.14,;20,-17.84,;21.32,-18.63,;21.3,-20.18,;22.62,-20.95,;22.61,-22.5,;23.94,-23.27,;23.91,-24.81,;22.59,-25.56,;25.26,-25.58,;22.66,-17.88,;22.67,-16.34,;23.99,-18.65,;25.33,-17.89,;25.35,-16.35,;26.69,-15.6,;28.02,-16.38,;29.36,-15.63,;29.38,-14.09,;28.05,-13.3,;26.71,-14.06,;26.66,-18.67,;26.64,-20.22,;28,-17.92,;29.32,-18.7,;30.66,-17.95,;31.99,-18.73,;30.68,-16.41,;7.08,-14.43,;7.99,-13.19,;7.38,-11.78,;9.52,-13.37,)| Show InChI InChI=1S/C77H102N22O16/c1-5-6-21-53(93-74(114)65(42(2)3)98-72(112)56(89-43(4)100)30-46-24-26-50(101)27-25-46)66(106)87-39-63(103)91-58(33-48-37-83-41-88-48)70(110)97-60(31-45-18-11-8-12-19-45)75(115)99-40-49(90-77(81)82)34-61(99)73(113)96-57(32-47-36-85-52-22-14-13-20-51(47)52)69(109)95-59(35-64(104)105)71(111)92-54(23-15-28-84-76(79)80)68(108)94-55(67(107)86-38-62(78)102)29-44-16-9-7-10-17-44/h7-14,16-20,22,24-27,36-37,41-42,49,53-61,65,85,101H,5-6,15,21,23,28-35,38-40H2,1-4H3,(H2,78,102)(H,83,88)(H,86,107)(H,87,106)(H,89,100)(H,91,103)(H,92,111)(H,93,114)(H,94,108)(H,95,109)(H,96,113)(H,97,110)(H,98,112)(H,104,105)(H4,79,80,84)(H4,81,82,90)/t49-,53+,54+,55+,56+,57+,58+,59+,60-,61+,65+/m1/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level |
J Med Chem 52: 3627-35 (2009)
Article DOI: 10.1021/jm801300c
BindingDB Entry DOI: 10.7270/Q2D21ZJ5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50162722
((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES CS(=O)(=O)N(CCN)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C32H39ClN6O4S/c1-44(42,43)39(15-14-34)30-9-5-4-8-29(30)37-16-18-38(19-17-37)32(41)28(20-23-10-12-26(33)13-11-23)36-31(40)27-21-24-6-2-3-7-25(24)22-35-27/h2-13,27-28,35H,14-22,34H2,1H3,(H,36,40)/t27-,28+/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Effective concentration determined against melanocortin-4 receptor |
Bioorg Med Chem Lett 15: 1623-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.060
BindingDB Entry DOI: 10.7270/Q2DV1JCW |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121268
(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 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level |
J Med Chem 52: 3627-35 (2009)
Article DOI: 10.1021/jm801300c
BindingDB Entry DOI: 10.7270/Q2D21ZJ5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165937
(Ac-YK[CEHdFRWC]-NH2 | CHEMBL412495)Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)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/C60H79N17O13S2/c1-33(78)69-44(25-35-16-18-38(79)19-17-35)55(86)70-41(14-7-8-22-61)53(84)77-49-31-92-91-30-48(51(62)82)76-57(88)46(26-36-28-67-40-13-6-5-12-39(36)40)74-52(83)42(15-9-23-66-60(63)64)71-56(87)45(24-34-10-3-2-4-11-34)73-58(89)47(27-37-29-65-32-68-37)75-54(85)43(72-59(49)90)20-21-50(80)81/h2-6,10-13,16-19,28-29,32,41-49,67,79H,7-9,14-15,20-27,30-31,61H2,1H3,(H2,62,82)(H,65,68)(H,69,78)(H,70,86)(H,71,87)(H,72,90)(H,73,89)(H,74,83)(H,75,85)(H,76,88)(H,77,84)(H,80,81)(H4,63,64,66)/t41-,42-,43+,44-,45-,46+,47-,48+,49+/m0/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human Melanocortin-4 receptor as peptide required for 50% maximal cAMP release (n > or =2) |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50268803
(Ac-Tyr-Val-Nle-Gly-His-DPhe-cis-Xaa-Trp-Asp-Arg-Ph...)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)N1C[C@H](C[C@H]1C(=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)N=C(N)N |r,wU:8.8,45.46,59.63,57.117,96.101,35.35,77.82,wD:4.4,12.21,63.66,85.90,(2.53,-50.05,;1.21,-50.83,;-.13,-50.07,;-1.45,-50.85,;-2.8,-50.09,;-4.13,-50.88,;-4.11,-52.42,;-2.77,-53.17,;-5.44,-53.2,;-5.43,-54.75,;-6.75,-55.53,;-8.09,-54.77,;-6.74,-57.06,;-5.4,-57.82,;-4.07,-57.04,;-4.09,-55.5,;-2.76,-54.71,;-1.41,-55.47,;-.08,-54.68,;-1.39,-57.02,;-2.73,-57.8,;-8.07,-57.85,;-8.06,-59.39,;-9.38,-60.18,;-6.71,-60.14,;-6.78,-52.45,;-6.8,-50.91,;-8.1,-53.23,;-2.82,-48.56,;-4.16,-47.8,;-1.49,-47.77,;-1.51,-46.23,;-.18,-45.44,;1.17,-46.2,;-.2,-43.9,;1.13,-43.12,;1.11,-41.58,;-.23,-40.83,;-.4,-39.3,;-1.91,-38.99,;-2.66,-40.33,;-1.63,-41.47,;2.47,-43.88,;2.49,-45.42,;3.8,-43.1,;5.14,-43.85,;5.16,-45.4,;6.5,-46.15,;6.51,-47.7,;7.85,-48.46,;9.17,-47.68,;9.16,-46.14,;7.81,-45.37,;6.5,-43.14,;7.76,-44.04,;6.57,-41.61,;5.55,-40.45,;6.33,-39.12,;7.84,-39.46,;7.99,-40.99,;9.31,-41.78,;9.3,-43.32,;10.65,-41.02,;11.97,-41.82,;11.95,-43.36,;13.23,-44.22,;14.68,-43.68,;15.63,-44.89,;14.78,-46.18,;15.16,-47.67,;14.06,-48.75,;12.58,-48.33,;12.19,-46.84,;13.3,-45.76,;13.31,-41.06,;13.32,-39.52,;14.64,-41.85,;15.98,-41.1,;15.99,-39.56,;17.33,-38.8,;18.67,-39.57,;17.35,-37.26,;17.3,-41.87,;17.29,-43.42,;18.65,-41.12,;19.96,-41.91,;19.94,-43.46,;21.27,-44.24,;21.26,-45.78,;22.59,-46.55,;22.56,-48.09,;21.24,-48.84,;23.9,-48.86,;21.3,-41.16,;21.31,-39.62,;22.64,-41.93,;23.98,-41.17,;23.99,-39.64,;25.33,-38.88,;26.66,-39.66,;28.01,-38.91,;28.02,-37.37,;26.7,-36.58,;25.36,-37.34,;25.31,-41.95,;25.29,-43.5,;26.65,-41.2,;27.97,-41.99,;29.31,-41.23,;30.64,-42.01,;29.32,-39.69,;5.72,-37.71,;6.64,-36.47,;6.03,-35.06,;8.17,-36.65,)| Show InChI InChI=1S/C77H102N22O16/c1-5-6-21-53(93-74(114)65(42(2)3)98-72(112)56(89-43(4)100)30-46-24-26-50(101)27-25-46)66(106)87-39-63(103)91-58(33-48-37-83-41-88-48)70(110)97-60(31-45-18-11-8-12-19-45)75(115)99-40-49(90-77(81)82)34-61(99)73(113)96-57(32-47-36-85-52-22-14-13-20-51(47)52)69(109)95-59(35-64(104)105)71(111)92-54(23-15-28-84-76(79)80)68(108)94-55(67(107)86-38-62(78)102)29-44-16-9-7-10-17-44/h7-14,16-20,22,24-27,36-37,41-42,49,53-61,65,85,101H,5-6,15,21,23,28-35,38-40H2,1-4H3,(H2,78,102)(H,83,88)(H,86,107)(H,87,106)(H,89,100)(H,91,103)(H,92,111)(H,93,114)(H,94,108)(H,95,109)(H,96,113)(H,97,110)(H,98,112)(H,104,105)(H4,79,80,84)(H4,81,82,90)/t49-,53-,54-,55-,56-,57-,58-,59-,60+,61-,65-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level |
J Med Chem 52: 3627-35 (2009)
Article DOI: 10.1021/jm801300c
BindingDB Entry DOI: 10.7270/Q2D21ZJ5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50027432
(CHEMBL2372570)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](CC2=NC=NC2)NC1=O)C(N)=O |r,c:68,t:66| 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,3-4,10-12,16,18-25,27H2,1-2H3,(H2,51,68)(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 | PDB
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Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay |
J Med Chem 53: 3183-97 (2010)
Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50329959
((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...)Show SMILES CN(C1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(C[C@@H](c3cc(C)c(Cl)cc23)C(C)(C)c2ncnn2C)CC1)C1CCOCC1 |r| Show InChI InChI=1S/C38H48ClF2N5O2/c1-23-16-30-31(20-33(23)39)38(21-32(30)37(2,3)36-42-22-43-45(36)5)10-12-46(13-11-38)35(47)29-19-26(44(4)25-8-14-48-15-9-25)18-28(29)27-7-6-24(40)17-34(27)41/h6-7,16-17,20,22,25-26,28-29,32H,8-15,18-19,21H2,1-5H3/t26?,28-,29+,32-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4 receptor |
Bioorg Med Chem Lett 20: 6524-32 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.049
BindingDB Entry DOI: 10.7270/Q24M94SF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim... |
J Med Chem 57: 4615-28 (2014)
Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50017130
(CHEMBL3287323)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O |r| Show InChI InChI=1S/C32H40I2N10O5/c1-18(45)41-27(15-23-16-38-17-40-23)31(49)44-26(14-20-6-10-22(34)11-7-20)30(48)42-24(3-2-12-39-32(36)37)29(47)43-25(28(35)46)13-19-4-8-21(33)9-5-19/h4-11,16-17,24-27H,2-3,12-15H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H,44,49)(H4,36,37,39)/t24-,25-,26+,27-/m0/s1 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess... |
J Med Chem 57: 4615-28 (2014)
Article DOI: 10.1021/jm500064t
BindingDB Entry DOI: 10.7270/Q2VQ347J |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50017181
(CHEMBL441738)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
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TBA
| Assay Description
Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as stimulation of intracellular cAMP accumulation incubated for ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02041
BindingDB Entry DOI: 10.7270/Q2GT5S0N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50165927
(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 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human Melanocortin-4 receptor as peptide required for 50% maximal cAMP release (n > or =2) |
J Med Chem 48: 3095-8 (2005)
Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(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 | PDB
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| n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by CRE/beta-galactosidase reporter gene assay |
J Med Chem 51: 5585-93 (2008)
Article DOI: 10.1021/jm800291b
BindingDB Entry DOI: 10.7270/Q2K64JZN |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50389769
(BREMELANOTIDE)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(O)=O |r,wU:61.64,50.52,39.41,25.25,4.4,wD:12.11,21.75,(-11.27,-.98,;-11.98,-2.34,;-11.15,-3.64,;-9.61,-3.57,;-8.78,-4.87,;-9.49,-6.24,;-11.03,-6.31,;-11.73,-7.67,;-11.86,-5.01,;-7.24,-4.8,;-6.41,-6.1,;-6.53,-3.43,;-4.99,-3.36,;-4.15,-4.65,;-4.16,-6.3,;-5.38,-7.46,;9.13,-7.95,;9.83,-6.57,;8.99,-5.29,;9.68,-3.91,;8.85,-2.63,;9.54,-1.25,;8.7,.04,;7.17,-.04,;6.47,-1.42,;6.33,1.25,;7.03,2.62,;8.56,2.7,;9.53,1.55,;10.96,2.1,;10.89,3.65,;11.98,4.73,;11.57,6.22,;10.08,6.61,;9,5.52,;9.4,4.04,;4.79,1.16,;3.95,2.46,;4.65,3.83,;2.41,2.38,;1.57,3.67,;2.27,5.04,;3.81,5.12,;4.51,6.49,;6.04,6.57,;6.88,5.28,;6.74,7.95,;1.71,1,;.18,.92,;-.66,2.21,;-.52,-.45,;.32,-1.74,;1.86,-1.66,;2.69,-2.95,;4.24,-2.86,;4.93,-1.49,;4.09,-.2,;2.55,-.28,;-2.06,-.53,;-2.9,.76,;-2.2,2.13,;-4.44,.67,;-5.28,1.97,;-4.58,3.34,;-5.29,4.71,;-4.2,5.81,;-2.82,5.1,;-3.06,3.57,;-5.14,-.69,;-4.3,-1.99,;-2.76,-1.9,;11.08,-1.17,;11.92,-2.46,;11.78,.2,)| Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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TBA
| Assay Description
Agonist activity at human melanocortin receptor 4 expressed in human T-REx-293 cells using high doxycycline assessed as stimulation of intracellular ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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TBA
| Assay Description
Agonist activity at human melanocortin receptor 4 expressed in human T-REx-293 cells using low doxycycline assessed as stimulation of intracellular c... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50027084
(Melatonan)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00793
BindingDB Entry DOI: 10.7270/Q20C50R5 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50410408
(CHEMBL2096713)Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)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](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C73H87N19O16/c1-39-62(98)85-53(30-41-14-7-4-8-15-41)70(106)91-73(2,71(107)108)92(58(61(76)97)31-43-21-25-47(94)26-22-43)60(96)35-57(86-63(99)49(74)28-42-19-23-46(93)24-20-42)69(105)89-55(33-45-37-79-38-82-45)68(104)87-52(29-40-12-5-3-6-13-40)66(102)84-51(18-11-27-80-72(77)78)64(100)88-54(32-44-36-81-50-17-10-9-16-48(44)50)67(103)90-56(34-59(75)95)65(101)83-39/h3-10,12-17,19-26,36-39,49,51-58,81,93-94H,11,18,27-35,74H2,1-2H3,(H2,75,95)(H2,76,97)(H,79,82)(H,83,101)(H,84,102)(H,85,98)(H,86,99)(H,87,104)(H,88,100)(H,89,105)(H,90,103)(H,91,106)(H,107,108)(H4,77,78,80)/t39-,49-,51-,52+,53-,54-,55-,56-,57-,58-,73?/m0/s1 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
Effective concentration for mouse Melanocortin-4 receptor |
J Med Chem 48: 3060-75 (2005)
Article DOI: 10.1021/jm049010r
BindingDB Entry DOI: 10.7270/Q2PR7WS4 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50121900
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)Show SMILES CCCC[C@H](NC(=O)C(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 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase assay |
J Med Chem 47: 6702-10 (2004)
Article DOI: 10.1021/jm0492756
BindingDB Entry DOI: 10.7270/Q27D2VZK |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Mus musculus) | BDBM50031496
(CHEMBL3358535)Show SMILES CCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=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)N[C@@H](CCN=[N+]=[N-])C(N)=O |r| Show InChI InChI=1S/C51H73N17O8/c1-4-6-9-20-39(63-45(71)38(18-7-5-2)61-31(3)69)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-15-10-8-11-16-32)48(74)64-40(21-14-23-57-51(53)54)47(73)66-42(26-33-28-58-36-19-13-12-17-35(33)36)49(75)62-37(44(52)70)22-24-60-68-55/h8,10-13,15-17,19,28-30,37-43,58H,4-7,9,14,18,20-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/m0/s1 | PDB
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University of Cergy-Pontoise
Curated by ChEMBL
| Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay |
J Med Chem 57: 9424-34 (2014)
Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT |
More data for this
Ligand-Target Pair | |
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