Found 145 hits with Last Name = 'yeon' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocyte-stimulating hormone receptor
(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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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand |
Bioorg Med Chem Lett 13: 1307-11 (2003)
BindingDB Entry DOI: 10.7270/Q21J994C |
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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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor (hMC4R) using NDP-MSH as radioligand |
Bioorg Med Chem Lett 13: 1307-11 (2003)
BindingDB Entry DOI: 10.7270/Q21J994C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174078
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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(N)=O |wU:44.46,7.6,10.13,wD:7.20,22.23,33.35,(-8.42,-2.6,;-7.09,-3.35,;-5.77,-2.6,;-4.46,-3.37,;-3.15,-2.6,;-3.15,-1.09,;-1.84,-3.38,;-1.44,-4.83,;-2.83,-4.22,;-4.05,-5.1,;-3.88,-6.61,;-2.51,-7.21,;-1.29,-6.33,;-5.09,-7.49,;-6.47,-6.87,;-7.68,-7.76,;-7.53,-9.26,;-6.14,-9.87,;-4.93,-8.98,;-.23,-3.94,;-.39,-2.44,;1.16,-4.55,;2.36,-3.66,;2.36,-2.11,;2.76,-.6,;1.64,.49,;2.03,2,;3.55,2.43,;4.64,1.33,;4.25,-.18,;3.65,-4.52,;3.65,-6.07,;5.01,-3.79,;6.22,-4.69,;6.22,-6.23,;7.56,-7,;7.56,-8.54,;8.89,-9.26,;10.23,-10.08,;10.23,-11.63,;11.57,-9.31,;7.51,-3.81,;7.51,-2.27,;8.87,-4.55,;10.08,-3.66,;10.08,-2.11,;10.61,-.65,;12.09,-.21,;12.13,1.33,;10.69,1.84,;10.1,3.26,;8.57,3.47,;7.63,2.25,;8.21,.82,;9.74,.62,;11.37,-4.52,;11.37,-6.07,;12.73,-3.79,;13.96,-4.69,;15.22,-3.81,;16.59,-4.55,;15.24,-2.27,)| Show InChI InChI=1S/C46H60N10O6/c1-2-3-20-40(58)56-46(23-21-32(22-24-46)31-15-8-5-9-16-31)44(62)55-37(26-30-13-6-4-7-14-30)43(61)53-36(19-12-25-50-45(48)49)42(60)54-38(41(59)52-29-39(47)57)27-33-28-51-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,51H,2-3,12,19-27,29H2,1H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t32-,36-,37+,38-,46+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50126087
(CHEMBL415341 | MT-II cyclic peptide derivative)Show SMILES CCCCC(=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)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H67ClN12O8/c1-2-3-21-43(66)60-42-28-44(67)57-24-10-9-19-38(45(54)68)61-48(71)41(27-33-30-59-37-18-8-7-16-35(33)37)63-46(69)39(20-12-25-58-51(55)56)62-47(70)40(26-31-13-5-4-6-14-31)64-50(73)52(65-49(42)72)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,59H,2-3,9-10,12,19-29H2,1H3,(H2,54,68)(H,57,67)(H,60,66)(H,61,71)(H,62,70)(H,63,69)(H,64,73)(H,65,72)(H4,55,56,58)/t38-,39+,40-,41-,42+,52?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand |
Bioorg Med Chem Lett 13: 1307-11 (2003)
BindingDB Entry DOI: 10.7270/Q21J994C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174073
(4-(4-Ethoxy-phenyl)-1-pentanoylamino-cyclohexaneca...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OCC)cc1)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(N)=O |wU:47.49,7.6,10.13,wD:7.23,25.26,36.38,(-9.98,-.76,;-8.67,-1.52,;-7.33,-.76,;-6.02,-1.53,;-4.7,-.77,;-4.7,.75,;-3.39,-1.53,;-3,-3,;-4.37,-2.38,;-5.6,-3.28,;-5.42,-4.77,;-4.06,-5.39,;-2.82,-4.49,;-6.66,-5.65,;-6.48,-7.14,;-7.69,-8.04,;-9.08,-7.42,;-10.29,-8.32,;-10.14,-9.82,;-11.37,-10.72,;-9.23,-5.93,;-8.02,-5.03,;-1.77,-2.09,;-1.95,-.6,;-.4,-2.71,;.83,-1.81,;.83,-.27,;1.22,1.25,;.11,2.33,;.5,3.85,;1.99,4.27,;3.1,3.18,;2.71,1.66,;2.09,-2.69,;2.12,-4.23,;3.46,-1.97,;4.69,-2.84,;4.69,-4.41,;6.03,-5.18,;6.03,-6.73,;7.35,-7.45,;8.71,-8.27,;8.71,-9.82,;10.05,-7.5,;5.98,-1.99,;5.98,-.42,;7.35,-2.71,;8.56,-1.81,;8.56,-.27,;9.07,1.18,;10.56,1.61,;10.62,3.16,;9.15,3.67,;8.56,5.11,;7.04,5.32,;6.08,4.11,;6.68,2.67,;8.22,2.46,;9.84,-2.69,;9.84,-4.23,;11.21,-1.97,;12.42,-2.84,;13.71,-1.99,;15.07,-2.71,;13.71,-.42,)| Show InChI InChI=1S/C48H64N10O7/c1-3-5-17-42(60)58-48(24-22-33(23-25-48)32-18-20-35(21-19-32)65-4-2)46(64)57-39(27-31-12-7-6-8-13-31)45(63)55-38(16-11-26-52-47(50)51)44(62)56-40(43(61)54-30-41(49)59)28-34-29-53-37-15-10-9-14-36(34)37/h6-10,12-15,18-21,29,33,38-40,53H,3-5,11,16-17,22-28,30H2,1-2H3,(H2,49,59)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,60)(H4,50,51,52)/t33-,38-,39+,40-,48+/m0/s1 | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121884
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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(N)=O Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH; not determined |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121888
(5-Dimethylamino-2-pentanoylamino-1,2,3,4-tetrahydr...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)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(N)=O Show InChI InChI=1S/C46H61N11O6/c1-4-5-20-40(59)56-46(22-21-33-30(26-46)15-11-19-38(33)57(2)3)44(63)55-36(24-29-13-7-6-8-14-29)43(62)53-35(18-12-23-50-45(48)49)42(61)54-37(41(60)52-28-39(47)58)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,4-5,12,18,20-26,28H2,1-3H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121888
(5-Dimethylamino-2-pentanoylamino-1,2,3,4-tetrahydr...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)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(N)=O Show InChI InChI=1S/C46H61N11O6/c1-4-5-20-40(59)56-46(22-21-33-30(26-46)15-11-19-38(33)57(2)3)44(63)55-36(24-29-13-7-6-8-14-29)43(62)53-35(18-12-23-50-45(48)49)42(61)54-37(41(60)52-28-39(47)58)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,4-5,12,18,20-26,28H2,1-3H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121884
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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(N)=O Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH; not determined |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 1 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50126085
(CHEMBL384036 | MT-II cyclic peptide derivative)Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC4R). |
Bioorg Med Chem Lett 13: 1307-11 (2003)
BindingDB Entry DOI: 10.7270/Q21J994C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50126085
(CHEMBL384036 | MT-II cyclic peptide derivative)Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1 | PDB
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| n/a | n/a | 675 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonistic activity against human melanocortin receptor (hMC4R) for cAMP accumulation |
Bioorg Med Chem Lett 13: 1307-11 (2003)
BindingDB Entry DOI: 10.7270/Q21J994C |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC3R by using radioligand NDP-MSH |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 3 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50174073
(4-(4-Ethoxy-phenyl)-1-pentanoylamino-cyclohexaneca...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OCC)cc1)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(N)=O |wU:47.49,7.6,10.13,wD:7.23,25.26,36.38,(-9.98,-.76,;-8.67,-1.52,;-7.33,-.76,;-6.02,-1.53,;-4.7,-.77,;-4.7,.75,;-3.39,-1.53,;-3,-3,;-4.37,-2.38,;-5.6,-3.28,;-5.42,-4.77,;-4.06,-5.39,;-2.82,-4.49,;-6.66,-5.65,;-6.48,-7.14,;-7.69,-8.04,;-9.08,-7.42,;-10.29,-8.32,;-10.14,-9.82,;-11.37,-10.72,;-9.23,-5.93,;-8.02,-5.03,;-1.77,-2.09,;-1.95,-.6,;-.4,-2.71,;.83,-1.81,;.83,-.27,;1.22,1.25,;.11,2.33,;.5,3.85,;1.99,4.27,;3.1,3.18,;2.71,1.66,;2.09,-2.69,;2.12,-4.23,;3.46,-1.97,;4.69,-2.84,;4.69,-4.41,;6.03,-5.18,;6.03,-6.73,;7.35,-7.45,;8.71,-8.27,;8.71,-9.82,;10.05,-7.5,;5.98,-1.99,;5.98,-.42,;7.35,-2.71,;8.56,-1.81,;8.56,-.27,;9.07,1.18,;10.56,1.61,;10.62,3.16,;9.15,3.67,;8.56,5.11,;7.04,5.32,;6.08,4.11,;6.68,2.67,;8.22,2.46,;9.84,-2.69,;9.84,-4.23,;11.21,-1.97,;12.42,-2.84,;13.71,-1.99,;15.07,-2.71,;13.71,-.42,)| Show InChI InChI=1S/C48H64N10O7/c1-3-5-17-42(60)58-48(24-22-33(23-25-48)32-18-20-35(21-19-32)65-4-2)46(64)57-39(27-31-12-7-6-8-13-31)45(63)55-38(16-11-26-52-47(50)51)44(62)56-40(43(61)54-30-41(49)59)28-34-29-53-37-15-10-9-14-36(34)37/h6-10,12-15,18-21,29,33,38-40,53H,3-5,11,16-17,22-28,30H2,1-2H3,(H2,49,59)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,60)(H4,50,51,52)/t33-,38-,39+,40-,48+/m0/s1 | PDB
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| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 1 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121884
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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(N)=O Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC4R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121884
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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(N)=O Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC1R by using radioligand NDP-MSH |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50126087
(CHEMBL415341 | MT-II cyclic peptide derivative)Show SMILES CCCCC(=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)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H67ClN12O8/c1-2-3-21-43(66)60-42-28-44(67)57-24-10-9-19-38(45(54)68)61-48(71)41(27-33-30-59-37-18-8-7-16-35(33)37)63-46(69)39(20-12-25-58-51(55)56)62-47(70)40(26-31-13-5-4-6-14-31)64-50(73)52(65-49(42)72)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,59H,2-3,9-10,12,19-29H2,1H3,(H2,54,68)(H,57,67)(H,60,66)(H,61,71)(H,62,70)(H,63,69)(H,64,73)(H,65,72)(H4,55,56,58)/t38-,39+,40-,41-,42+,52?/m0/s1 | PDB
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| n/a | n/a | 5.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand |
Bioorg Med Chem Lett 13: 1307-11 (2003)
BindingDB Entry DOI: 10.7270/Q21J994C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50174078
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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(N)=O |wU:44.46,7.6,10.13,wD:7.20,22.23,33.35,(-8.42,-2.6,;-7.09,-3.35,;-5.77,-2.6,;-4.46,-3.37,;-3.15,-2.6,;-3.15,-1.09,;-1.84,-3.38,;-1.44,-4.83,;-2.83,-4.22,;-4.05,-5.1,;-3.88,-6.61,;-2.51,-7.21,;-1.29,-6.33,;-5.09,-7.49,;-6.47,-6.87,;-7.68,-7.76,;-7.53,-9.26,;-6.14,-9.87,;-4.93,-8.98,;-.23,-3.94,;-.39,-2.44,;1.16,-4.55,;2.36,-3.66,;2.36,-2.11,;2.76,-.6,;1.64,.49,;2.03,2,;3.55,2.43,;4.64,1.33,;4.25,-.18,;3.65,-4.52,;3.65,-6.07,;5.01,-3.79,;6.22,-4.69,;6.22,-6.23,;7.56,-7,;7.56,-8.54,;8.89,-9.26,;10.23,-10.08,;10.23,-11.63,;11.57,-9.31,;7.51,-3.81,;7.51,-2.27,;8.87,-4.55,;10.08,-3.66,;10.08,-2.11,;10.61,-.65,;12.09,-.21,;12.13,1.33,;10.69,1.84,;10.1,3.26,;8.57,3.47,;7.63,2.25,;8.21,.82,;9.74,.62,;11.37,-4.52,;11.37,-6.07,;12.73,-3.79,;13.96,-4.69,;15.22,-3.81,;16.59,-4.55,;15.24,-2.27,)| Show InChI InChI=1S/C46H60N10O6/c1-2-3-20-40(58)56-46(23-21-32(22-24-46)31-15-8-5-9-16-31)44(62)55-37(26-30-13-6-4-7-14-30)43(61)53-36(19-12-25-50-45(48)49)42(60)54-38(41(59)52-29-39(47)57)27-33-28-51-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,51H,2-3,12,19-27,29H2,1H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t32-,36-,37+,38-,46+/m0/s1 | PDB
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| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 1 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 5 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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| n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC5R by using radioligand NDP-MSH |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50126085
(CHEMBL384036 | MT-II cyclic peptide derivative)Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand |
Bioorg Med Chem Lett 13: 1307-11 (2003)
BindingDB Entry DOI: 10.7270/Q21J994C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50126085
(CHEMBL384036 | MT-II cyclic peptide derivative)Show SMILES CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H66ClN11O9/c1-2-3-21-43(65)59-42-28-44(66)56-24-10-9-19-38(45(54)67)60-48(70)41(27-33-30-58-37-18-8-7-16-35(33)37)62-46(68)39(20-12-25-57-51(55)73)61-47(69)40(26-31-13-5-4-6-14-31)63-50(72)52(64-49(42)71)23-22-34-32(29-52)15-11-17-36(34)53/h4-8,11,13-18,30,38-42,58H,2-3,9-10,12,19-29H2,1H3,(H2,54,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H3,55,57,73)/t38-,39+,40-,41-,42+,52?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonistic activity against human melanocortin receptor (hMC1R) for cAMP accumulation |
Bioorg Med Chem Lett 13: 1307-11 (2003)
BindingDB Entry DOI: 10.7270/Q21J994C |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121888
(5-Dimethylamino-2-pentanoylamino-1,2,3,4-tetrahydr...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)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(N)=O Show InChI InChI=1S/C46H61N11O6/c1-4-5-20-40(59)56-46(22-21-33-30(26-46)15-11-19-38(33)57(2)3)44(63)55-36(24-29-13-7-6-8-14-29)43(62)53-35(18-12-23-50-45(48)49)42(61)54-37(41(60)52-28-39(47)58)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,4-5,12,18,20-26,28H2,1-3H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1 | PDB
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| n/a | n/a | 2.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC1R by using radioligand NDP-MSH |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121888
(5-Dimethylamino-2-pentanoylamino-1,2,3,4-tetrahydr...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)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(N)=O Show InChI InChI=1S/C46H61N11O6/c1-4-5-20-40(59)56-46(22-21-33-30(26-46)15-11-19-38(33)57(2)3)44(63)55-36(24-29-13-7-6-8-14-29)43(62)53-35(18-12-23-50-45(48)49)42(61)54-37(41(60)52-28-39(47)58)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,4-5,12,18,20-26,28H2,1-3H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1 | PDB
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| n/a | n/a | 2.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC1R by using radioligand NDP-MSH |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121894
(6-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2cc(Br)ccc2C1)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(N)=O Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-15-38(57)55-44(19-18-28-22-31(45)17-16-29(28)24-44)42(61)54-35(21-27-10-5-4-6-11-27)41(60)52-34(14-9-20-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-30-25-50-33-13-8-7-12-32(30)33/h4-8,10-13,16-17,22,25,34-36,50H,2-3,9,14-15,18-21,23-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 4.63E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121888
(5-Dimethylamino-2-pentanoylamino-1,2,3,4-tetrahydr...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)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(N)=O Show InChI InChI=1S/C46H61N11O6/c1-4-5-20-40(59)56-46(22-21-33-30(26-46)15-11-19-38(33)57(2)3)44(63)55-36(24-29-13-7-6-8-14-29)43(62)53-35(18-12-23-50-45(48)49)42(61)54-37(41(60)52-28-39(47)58)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,4-5,12,18,20-26,28H2,1-3H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.85E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R at 50% maximum cAMP accumulation |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121884
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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(N)=O Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC4R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121884
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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(N)=O Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121888
(5-Dimethylamino-2-pentanoylamino-1,2,3,4-tetrahydr...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)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(N)=O Show InChI InChI=1S/C46H61N11O6/c1-4-5-20-40(59)56-46(22-21-33-30(26-46)15-11-19-38(33)57(2)3)44(63)55-36(24-29-13-7-6-8-14-29)43(62)53-35(18-12-23-50-45(48)49)42(61)54-37(41(60)52-28-39(47)58)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,4-5,12,18,20-26,28H2,1-3H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.85E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC1R by using radioligand NDP-MSH |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121888
(5-Dimethylamino-2-pentanoylamino-1,2,3,4-tetrahydr...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)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(N)=O Show InChI InChI=1S/C46H61N11O6/c1-4-5-20-40(59)56-46(22-21-33-30(26-46)15-11-19-38(33)57(2)3)44(63)55-36(24-29-13-7-6-8-14-29)43(62)53-35(18-12-23-50-45(48)49)42(61)54-37(41(60)52-28-39(47)58)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,4-5,12,18,20-26,28H2,1-3H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.85E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC4R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121899
(5-Chloro-2-pentanoylamino-1,2,3,4-tetrahydro-napht...)Show SMILES CCCCC(=O)NC1(CCc2c(Cl)cccc2C1)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(N)=O Show InChI InChI=1S/C44H55ClN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human melanocortin receptor hMC1R by using radioligand NDP-MSH |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451531
(CHEMBL2112064)Show SMILES CCCCC(=O)N[C@@]1(CCc2ccccc2C1)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(N)=O |wU:20.22,31.34,wD:7.6,42.45,(4.56,-4.81,;5.18,-6.21,;4.27,-7.45,;4.88,-8.87,;3.94,-10.11,;2.43,-9.92,;4.56,-11.51,;3.64,-12.75,;2.71,-14.01,;1.17,-13.82,;.56,-12.4,;-.98,-12.19,;-1.56,-10.76,;-.63,-9.55,;.89,-9.74,;1.49,-11.14,;3.03,-11.32,;5.02,-13.45,;5.13,-14.85,;6.46,-12.54,;7.79,-13.31,;7.79,-14.85,;9.15,-15.62,;10.48,-14.85,;11.81,-15.62,;11.81,-17.16,;10.48,-17.93,;9.12,-17.16,;9.15,-12.54,;9.15,-11,;10.48,-13.31,;11.81,-12.54,;11.81,-11,;13.16,-10.23,;13.16,-8.69,;14.49,-7.92,;14.49,-6.35,;15.82,-5.58,;13.16,-5.58,;13.16,-13.31,;13.14,-14.85,;14.49,-12.54,;15.82,-13.31,;15.82,-14.85,;17.15,-15.62,;18.57,-15.01,;19.6,-16.15,;18.81,-17.48,;19.28,-18.95,;18.27,-20.1,;16.75,-19.77,;16.29,-18.3,;17.31,-17.16,;17.15,-12.54,;17.17,-11,;18.5,-13.31,;19.83,-12.54,;21.16,-13.31,;22.49,-12.54,;21.16,-14.87,)| Show InChI InChI=1S/C44H56N10O6/c1-2-3-19-38(56)54-44(21-20-29-14-7-8-15-30(29)25-44)42(60)53-35(23-28-12-5-4-6-13-28)41(59)51-34(18-11-22-48-43(46)47)40(58)52-36(39(57)50-27-37(45)55)24-31-26-49-33-17-10-9-16-32(31)33/h4-10,12-17,26,34-36,49H,2-3,11,18-25,27H2,1H3,(H2,45,55)(H,50,57)(H,51,59)(H,52,58)(H,53,60)(H,54,56)(H4,46,47,48)/t34-,35+,36-,44+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121888
(5-Dimethylamino-2-pentanoylamino-1,2,3,4-tetrahydr...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)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(N)=O Show InChI InChI=1S/C46H61N11O6/c1-4-5-20-40(59)56-46(22-21-33-30(26-46)15-11-19-38(33)57(2)3)44(63)55-36(24-29-13-7-6-8-14-29)43(62)53-35(18-12-23-50-45(48)49)42(61)54-37(41(60)52-28-39(47)58)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,4-5,12,18,20-26,28H2,1-3H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC4R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121888
(5-Dimethylamino-2-pentanoylamino-1,2,3,4-tetrahydr...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2N(C)C)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(N)=O Show InChI InChI=1S/C46H61N11O6/c1-4-5-20-40(59)56-46(22-21-33-30(26-46)15-11-19-38(33)57(2)3)44(63)55-36(24-29-13-7-6-8-14-29)43(62)53-35(18-12-23-50-45(48)49)42(61)54-37(41(60)52-28-39(47)58)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,4-5,12,18,20-26,28H2,1-3H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC4R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121892
(2-Butyrylamino-1,2,3,4-tetrahydro-naphthalene-2-ca...)Show SMILES CCCC(=O)N[C@]1(CCc2ccccc2C1)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(N)=O |wU:19.21,30.33,wD:6.17,41.44,(5.17,-6.2,;4.26,-7.43,;4.87,-8.83,;3.94,-10.07,;2.42,-9.9,;4.55,-11.49,;3.63,-12.72,;2.7,-13.96,;1.16,-13.77,;.56,-12.35,;-.98,-12.16,;-1.56,-10.74,;-.63,-9.51,;.89,-9.69,;1.49,-11.11,;3.03,-11.3,;5.01,-13.42,;5.13,-14.82,;6.45,-12.51,;7.78,-13.28,;7.78,-14.82,;9.13,-15.59,;9.11,-17.12,;10.46,-17.89,;11.79,-17.12,;11.79,-15.59,;10.46,-14.82,;9.13,-12.51,;9.13,-10.95,;10.46,-13.28,;11.79,-12.49,;11.79,-10.97,;13.14,-10.2,;13.14,-8.64,;14.47,-7.87,;14.47,-6.34,;15.8,-5.57,;13.14,-5.57,;13.14,-13.28,;13.12,-14.82,;14.47,-12.51,;15.8,-13.28,;15.8,-14.82,;17.12,-15.59,;18.55,-14.96,;19.57,-16.1,;18.79,-17.45,;19.25,-18.92,;18.24,-20.06,;16.73,-19.73,;16.26,-18.27,;17.29,-17.12,;17.12,-12.51,;17.15,-10.97,;18.48,-13.28,;19.8,-12.51,;21.13,-13.28,;22.46,-12.51,;21.13,-14.82,)| Show InChI InChI=1S/C43H54N10O6/c1-2-11-37(55)53-43(20-19-28-14-6-7-15-29(28)24-43)41(59)52-34(22-27-12-4-3-5-13-27)40(58)50-33(18-10-21-47-42(45)46)39(57)51-35(38(56)49-26-36(44)54)23-30-25-48-32-17-9-8-16-31(30)32/h3-9,12-17,25,33-35,48H,2,10-11,18-24,26H2,1H3,(H2,44,54)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,55)(H4,45,46,47)/t33-,34+,35-,43?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 4.38E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121897
(8-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2cccc(Br)c2C1)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(N)=O Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-28-13-9-15-32(45)31(28)24-44)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-30(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.91E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121899
(5-Chloro-2-pentanoylamino-1,2,3,4-tetrahydro-napht...)Show SMILES CCCCC(=O)NC1(CCc2c(Cl)cccc2C1)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(N)=O Show InChI InChI=1S/C44H55ClN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121892
(2-Butyrylamino-1,2,3,4-tetrahydro-naphthalene-2-ca...)Show SMILES CCCC(=O)N[C@]1(CCc2ccccc2C1)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(N)=O |wU:19.21,30.33,wD:6.17,41.44,(5.17,-6.2,;4.26,-7.43,;4.87,-8.83,;3.94,-10.07,;2.42,-9.9,;4.55,-11.49,;3.63,-12.72,;2.7,-13.96,;1.16,-13.77,;.56,-12.35,;-.98,-12.16,;-1.56,-10.74,;-.63,-9.51,;.89,-9.69,;1.49,-11.11,;3.03,-11.3,;5.01,-13.42,;5.13,-14.82,;6.45,-12.51,;7.78,-13.28,;7.78,-14.82,;9.13,-15.59,;9.11,-17.12,;10.46,-17.89,;11.79,-17.12,;11.79,-15.59,;10.46,-14.82,;9.13,-12.51,;9.13,-10.95,;10.46,-13.28,;11.79,-12.49,;11.79,-10.97,;13.14,-10.2,;13.14,-8.64,;14.47,-7.87,;14.47,-6.34,;15.8,-5.57,;13.14,-5.57,;13.14,-13.28,;13.12,-14.82,;14.47,-12.51,;15.8,-13.28,;15.8,-14.82,;17.12,-15.59,;18.55,-14.96,;19.57,-16.1,;18.79,-17.45,;19.25,-18.92,;18.24,-20.06,;16.73,-19.73,;16.26,-18.27,;17.29,-17.12,;17.12,-12.51,;17.15,-10.97,;18.48,-13.28,;19.8,-12.51,;21.13,-13.28,;22.46,-12.51,;21.13,-14.82,)| Show InChI InChI=1S/C43H54N10O6/c1-2-11-37(55)53-43(20-19-28-14-6-7-15-29(28)24-43)41(59)52-34(22-27-12-4-3-5-13-27)40(58)50-33(18-10-21-47-42(45)46)39(57)51-35(38(56)49-26-36(44)54)23-30-25-48-32-17-9-8-16-31(30)32/h3-9,12-17,25,33-35,48H,2,10-11,18-24,26H2,1H3,(H2,44,54)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,55)(H4,45,46,47)/t33-,34+,35-,43?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC4R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121884
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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(N)=O Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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| CHEMBL
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PC sid
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| PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC31R measured as percent cAMP accumulation at the concentration of 50 uM |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50451531
(CHEMBL2112064)Show SMILES CCCCC(=O)N[C@@]1(CCc2ccccc2C1)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(N)=O |wU:20.22,31.34,wD:7.6,42.45,(4.56,-4.81,;5.18,-6.21,;4.27,-7.45,;4.88,-8.87,;3.94,-10.11,;2.43,-9.92,;4.56,-11.51,;3.64,-12.75,;2.71,-14.01,;1.17,-13.82,;.56,-12.4,;-.98,-12.19,;-1.56,-10.76,;-.63,-9.55,;.89,-9.74,;1.49,-11.14,;3.03,-11.32,;5.02,-13.45,;5.13,-14.85,;6.46,-12.54,;7.79,-13.31,;7.79,-14.85,;9.15,-15.62,;10.48,-14.85,;11.81,-15.62,;11.81,-17.16,;10.48,-17.93,;9.12,-17.16,;9.15,-12.54,;9.15,-11,;10.48,-13.31,;11.81,-12.54,;11.81,-11,;13.16,-10.23,;13.16,-8.69,;14.49,-7.92,;14.49,-6.35,;15.82,-5.58,;13.16,-5.58,;13.16,-13.31,;13.14,-14.85,;14.49,-12.54,;15.82,-13.31,;15.82,-14.85,;17.15,-15.62,;18.57,-15.01,;19.6,-16.15,;18.81,-17.48,;19.28,-18.95,;18.27,-20.1,;16.75,-19.77,;16.29,-18.3,;17.31,-17.16,;17.15,-12.54,;17.17,-11,;18.5,-13.31,;19.83,-12.54,;21.16,-13.31,;22.49,-12.54,;21.16,-14.87,)| Show InChI InChI=1S/C44H56N10O6/c1-2-3-19-38(56)54-44(21-20-29-14-7-8-15-30(29)25-44)42(60)53-35(23-28-12-5-4-6-13-28)41(59)51-34(18-11-22-48-43(46)47)40(58)52-36(39(57)50-27-37(45)55)24-31-26-49-33-17-10-9-16-32(31)33/h4-10,12-17,26,34-36,49H,2-3,11,18-25,27H2,1H3,(H2,45,55)(H,50,57)(H,51,59)(H,52,58)(H,53,60)(H,54,56)(H4,46,47,48)/t34-,35+,36-,44+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC4R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121892
(2-Butyrylamino-1,2,3,4-tetrahydro-naphthalene-2-ca...)Show SMILES CCCC(=O)N[C@]1(CCc2ccccc2C1)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(N)=O |wU:19.21,30.33,wD:6.17,41.44,(5.17,-6.2,;4.26,-7.43,;4.87,-8.83,;3.94,-10.07,;2.42,-9.9,;4.55,-11.49,;3.63,-12.72,;2.7,-13.96,;1.16,-13.77,;.56,-12.35,;-.98,-12.16,;-1.56,-10.74,;-.63,-9.51,;.89,-9.69,;1.49,-11.11,;3.03,-11.3,;5.01,-13.42,;5.13,-14.82,;6.45,-12.51,;7.78,-13.28,;7.78,-14.82,;9.13,-15.59,;9.11,-17.12,;10.46,-17.89,;11.79,-17.12,;11.79,-15.59,;10.46,-14.82,;9.13,-12.51,;9.13,-10.95,;10.46,-13.28,;11.79,-12.49,;11.79,-10.97,;13.14,-10.2,;13.14,-8.64,;14.47,-7.87,;14.47,-6.34,;15.8,-5.57,;13.14,-5.57,;13.14,-13.28,;13.12,-14.82,;14.47,-12.51,;15.8,-13.28,;15.8,-14.82,;17.12,-15.59,;18.55,-14.96,;19.57,-16.1,;18.79,-17.45,;19.25,-18.92,;18.24,-20.06,;16.73,-19.73,;16.26,-18.27,;17.29,-17.12,;17.12,-12.51,;17.15,-10.97,;18.48,-13.28,;19.8,-12.51,;21.13,-13.28,;22.46,-12.51,;21.13,-14.82,)| Show InChI InChI=1S/C43H54N10O6/c1-2-11-37(55)53-43(20-19-28-14-6-7-15-29(28)24-43)41(59)52-34(22-27-12-4-3-5-13-27)40(58)50-33(18-10-21-47-42(45)46)39(57)51-35(38(56)49-26-36(44)54)23-30-25-48-32-17-9-8-16-31(30)32/h3-9,12-17,25,33-35,48H,2,10-11,18-24,26H2,1H3,(H2,44,54)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,55)(H4,45,46,47)/t33-,34+,35-,43?/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | n/a | n/a | 4.38E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50451531
(CHEMBL2112064)Show SMILES CCCCC(=O)N[C@@]1(CCc2ccccc2C1)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(N)=O |wU:20.22,31.34,wD:7.6,42.45,(4.56,-4.81,;5.18,-6.21,;4.27,-7.45,;4.88,-8.87,;3.94,-10.11,;2.43,-9.92,;4.56,-11.51,;3.64,-12.75,;2.71,-14.01,;1.17,-13.82,;.56,-12.4,;-.98,-12.19,;-1.56,-10.76,;-.63,-9.55,;.89,-9.74,;1.49,-11.14,;3.03,-11.32,;5.02,-13.45,;5.13,-14.85,;6.46,-12.54,;7.79,-13.31,;7.79,-14.85,;9.15,-15.62,;10.48,-14.85,;11.81,-15.62,;11.81,-17.16,;10.48,-17.93,;9.12,-17.16,;9.15,-12.54,;9.15,-11,;10.48,-13.31,;11.81,-12.54,;11.81,-11,;13.16,-10.23,;13.16,-8.69,;14.49,-7.92,;14.49,-6.35,;15.82,-5.58,;13.16,-5.58,;13.16,-13.31,;13.14,-14.85,;14.49,-12.54,;15.82,-13.31,;15.82,-14.85,;17.15,-15.62,;18.57,-15.01,;19.6,-16.15,;18.81,-17.48,;19.28,-18.95,;18.27,-20.1,;16.75,-19.77,;16.29,-18.3,;17.31,-17.16,;17.15,-12.54,;17.17,-11,;18.5,-13.31,;19.83,-12.54,;21.16,-13.31,;22.49,-12.54,;21.16,-14.87,)| Show InChI InChI=1S/C44H56N10O6/c1-2-3-19-38(56)54-44(21-20-29-14-7-8-15-30(29)25-44)42(60)53-35(23-28-12-5-4-6-13-28)41(59)51-34(18-11-22-48-43(46)47)40(58)52-36(39(57)50-27-37(45)55)24-31-26-49-33-17-10-9-16-32(31)33/h4-10,12-17,26,34-36,49H,2-3,11,18-25,27H2,1H3,(H2,45,55)(H,50,57)(H,51,59)(H,52,58)(H,53,60)(H,54,56)(H4,46,47,48)/t34-,35+,36-,44+/m0/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121892
(2-Butyrylamino-1,2,3,4-tetrahydro-naphthalene-2-ca...)Show SMILES CCCC(=O)N[C@]1(CCc2ccccc2C1)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(N)=O |wU:19.21,30.33,wD:6.17,41.44,(5.17,-6.2,;4.26,-7.43,;4.87,-8.83,;3.94,-10.07,;2.42,-9.9,;4.55,-11.49,;3.63,-12.72,;2.7,-13.96,;1.16,-13.77,;.56,-12.35,;-.98,-12.16,;-1.56,-10.74,;-.63,-9.51,;.89,-9.69,;1.49,-11.11,;3.03,-11.3,;5.01,-13.42,;5.13,-14.82,;6.45,-12.51,;7.78,-13.28,;7.78,-14.82,;9.13,-15.59,;9.11,-17.12,;10.46,-17.89,;11.79,-17.12,;11.79,-15.59,;10.46,-14.82,;9.13,-12.51,;9.13,-10.95,;10.46,-13.28,;11.79,-12.49,;11.79,-10.97,;13.14,-10.2,;13.14,-8.64,;14.47,-7.87,;14.47,-6.34,;15.8,-5.57,;13.14,-5.57,;13.14,-13.28,;13.12,-14.82,;14.47,-12.51,;15.8,-13.28,;15.8,-14.82,;17.12,-15.59,;18.55,-14.96,;19.57,-16.1,;18.79,-17.45,;19.25,-18.92,;18.24,-20.06,;16.73,-19.73,;16.26,-18.27,;17.29,-17.12,;17.12,-12.51,;17.15,-10.97,;18.48,-13.28,;19.8,-12.51,;21.13,-13.28,;22.46,-12.51,;21.13,-14.82,)| Show InChI InChI=1S/C43H54N10O6/c1-2-11-37(55)53-43(20-19-28-14-6-7-15-29(28)24-43)41(59)52-34(22-27-12-4-3-5-13-27)40(58)50-33(18-10-21-47-42(45)46)39(57)51-35(38(56)49-26-36(44)54)23-30-25-48-32-17-9-8-16-31(30)32/h3-9,12-17,25,33-35,48H,2,10-11,18-24,26H2,1H3,(H2,44,54)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,55)(H4,45,46,47)/t33-,34+,35-,43?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC4R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=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(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC1R at 50% maximum cAMP accumulation |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50451531
(CHEMBL2112064)Show SMILES CCCCC(=O)N[C@@]1(CCc2ccccc2C1)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(N)=O |wU:20.22,31.34,wD:7.6,42.45,(4.56,-4.81,;5.18,-6.21,;4.27,-7.45,;4.88,-8.87,;3.94,-10.11,;2.43,-9.92,;4.56,-11.51,;3.64,-12.75,;2.71,-14.01,;1.17,-13.82,;.56,-12.4,;-.98,-12.19,;-1.56,-10.76,;-.63,-9.55,;.89,-9.74,;1.49,-11.14,;3.03,-11.32,;5.02,-13.45,;5.13,-14.85,;6.46,-12.54,;7.79,-13.31,;7.79,-14.85,;9.15,-15.62,;10.48,-14.85,;11.81,-15.62,;11.81,-17.16,;10.48,-17.93,;9.12,-17.16,;9.15,-12.54,;9.15,-11,;10.48,-13.31,;11.81,-12.54,;11.81,-11,;13.16,-10.23,;13.16,-8.69,;14.49,-7.92,;14.49,-6.35,;15.82,-5.58,;13.16,-5.58,;13.16,-13.31,;13.14,-14.85,;14.49,-12.54,;15.82,-13.31,;15.82,-14.85,;17.15,-15.62,;18.57,-15.01,;19.6,-16.15,;18.81,-17.48,;19.28,-18.95,;18.27,-20.1,;16.75,-19.77,;16.29,-18.3,;17.31,-17.16,;17.15,-12.54,;17.17,-11,;18.5,-13.31,;19.83,-12.54,;21.16,-13.31,;22.49,-12.54,;21.16,-14.87,)| Show InChI InChI=1S/C44H56N10O6/c1-2-3-19-38(56)54-44(21-20-29-14-7-8-15-30(29)25-44)42(60)53-35(23-28-12-5-4-6-13-28)41(59)51-34(18-11-22-48-43(46)47)40(58)52-36(39(57)50-27-37(45)55)24-31-26-49-33-17-10-9-16-32(31)33/h4-10,12-17,26,34-36,49H,2-3,11,18-25,27H2,1H3,(H2,45,55)(H,50,57)(H,51,59)(H,52,58)(H,53,60)(H,54,56)(H4,46,47,48)/t34-,35+,36-,44+/m0/s1 | PDB
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| CHEMBL
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| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity against human melanocortin receptor hMC4R |
Bioorg Med Chem Lett 13: 133-7 (2002)
BindingDB Entry DOI: 10.7270/Q2BV7H5F |
More data for this
Ligand-Target Pair | |
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