Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50013071 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)) | 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)) | 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 (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 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 | |
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)) | 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 | 1.47E+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) 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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| n/a | n/a | 1.48E+4 | 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 (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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50126091
(CHEMBL216474 | 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(CCc3cc(Br)ccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H67BrN12O8/c1-2-3-18-43(66)60-42-28-44(67)57-23-10-9-16-38(45(54)68)61-48(71)41(27-34-30-59-37-15-8-7-14-36(34)37)63-46(69)39(17-11-24-58-51(55)56)62-47(70)40(25-31-12-5-4-6-13-31)64-50(73)52(65-49(42)72)22-21-32-26-35(53)20-19-33(32)29-52/h4-8,12-15,19-20,26,30,38-42,59H,2-3,9-11,16-18,21-25,27-29H2,1H3,(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
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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50126092
(CHEMBL2371902 | MT-II cyclic peptide derivative)Show SMILES [H][C@@]12Cc3ccccc3CN1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC2=O)C(N)=O)NC(=O)CCCC |wU:26.28,40.44,wD:13.70,22.67,51.55,1.0,(-.68,1.74,;-.91,-.11,;-1.58,1.1,;-2.95,1.12,;-3.6,2.31,;-4.97,2.35,;-5.69,1.17,;-5.04,-.03,;-3.67,-.05,;-3.01,-1.26,;-1.63,-1.3,;-2.01,-2.79,;-3.54,-2.61,;-1.97,-4.32,;-1.52,-5.8,;-.69,-7.09,;-1.87,-8.09,;.46,-8.11,;1.84,-8.8,;3.34,-9.07,;4.88,-8.94,;6.32,-8.38,;7.56,-7.47,;8.5,-6.26,;9.08,-4.83,;10.57,-5.22,;9.26,-3.3,;10.8,-3.27,;12.26,-3.73,;13.5,-2.82,;14.76,-3.72,;14.29,-5.17,;15.07,-6.51,;14.31,-7.84,;12.78,-7.86,;11.99,-6.53,;12.75,-5.19,;9.01,-1.78,;8.38,-.38,;9.67,.45,;7.38,.78,;8.4,1.93,;7.92,3.39,;8.94,4.54,;8.46,6.01,;6.95,6.33,;5.92,5.18,;6.47,7.78,;6.09,1.64,;4.63,2.13,;4.92,3.64,;3.09,2.2,;2.94,3.72,;2.17,5.08,;2.94,6.41,;2.17,7.74,;.63,7.74,;-.14,6.39,;.63,5.06,;1.59,1.85,;.24,1.12,;-.68,2.35,;8.63,-8.57,;8.22,-10.05,;10.13,-8.2,;-3.49,-4.57,;-5.04,-4.57,;-5.81,-3.23,;-5.81,-5.9,;-7.35,-5.9,;-8.12,-7.24,;-9.66,-7.24,)| Show InChI InChI=1S/C51H66N12O8/c1-2-3-22-43(64)58-41-28-44(65)55-23-12-11-20-37(45(52)66)59-48(69)40(26-34-29-57-36-19-10-9-18-35(34)36)61-46(67)38(21-13-24-56-51(53)54)60-47(68)39(25-31-14-5-4-6-15-31)62-49(70)42-27-32-16-7-8-17-33(32)30-63(42)50(41)71/h4-10,14-19,29,37-42,57H,2-3,11-13,20-28,30H2,1H3,(H2,52,66)(H,55,65)(H,58,64)(H,59,69)(H,60,68)(H,61,67)(H,62,70)(H4,53,54,56)/t37-,38-,39+,40-,41-,42-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | BDBM50126089
(CHEMBL2371913 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@]2(CCc3ccccc3C2)NC1=O)C(N)=O |wU:20.20,34.36,wD:56.70,7.6,16.74,45.47,(-4.45,-10.9,;-2.91,-10.9,;-2.14,-9.56,;-.6,-9.56,;.17,-8.23,;-.6,-6.88,;1.72,-8.23,;3.26,-7.98,;3.69,-9.46,;4.53,-10.75,;3.36,-11.75,;5.67,-11.77,;7.05,-12.45,;8.57,-12.73,;10.09,-12.58,;11.55,-12.04,;12.78,-11.13,;13.72,-9.9,;14.3,-8.48,;15.8,-8.86,;14.49,-6.96,;16.01,-6.92,;17.49,-7.38,;18.72,-6.47,;19.97,-7.36,;19.51,-8.83,;20.28,-10.15,;19.53,-11.5,;17.99,-11.51,;17.22,-10.17,;17.97,-8.84,;14.24,-5.44,;13.59,-4.04,;14.88,-3.21,;12.59,-2.86,;13.61,-1.72,;13.13,-.26,;14.15,.9,;13.68,2.35,;12.17,2.67,;11.13,1.52,;11.67,4.12,;11.3,-2.01,;9.84,-1.52,;10.13,-.01,;8.32,-1.46,;8.17,.08,;7.4,1.42,;8.17,2.75,;7.4,4.08,;5.84,4.08,;5.07,2.74,;5.86,1.41,;6.82,-1.8,;5.47,-2.54,;4.88,-1,;4.36,-3.81,;4.36,-2.42,;3.17,-1.74,;1.99,-2.44,;.8,-1.75,;-.39,-2.44,;-.39,-3.81,;.8,-4.5,;1.99,-3.81,;3.17,-4.5,;3.57,-5.25,;3.22,-6.44,;1.42,-6.81,;13.86,-12.23,;13.45,-13.71,;15.34,-11.84,)| Show InChI InChI=1S/C52H68N12O8/c1-2-3-22-43(65)59-42-29-44(66)56-25-12-11-20-38(45(53)67)60-48(70)41(28-35-31-58-37-19-10-9-18-36(35)37)62-46(68)39(21-13-26-57-51(54)55)61-47(69)40(27-32-14-5-4-6-15-32)63-50(72)52(64-49(42)71)24-23-33-16-7-8-17-34(33)30-52/h4-10,14-19,31,38-42,58H,2-3,11-13,20-30H2,1H3,(H2,53,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H4,54,55,57)/t38-,39-,40+,41-,42-,52-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 900 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | BDBM50126093
(CHEMBL386871 | 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(C2)cccc3N(C)C)NC1=O)C(N)=O Show InChI InChI=1S/C54H73N13O8/c1-4-5-23-45(68)61-43-30-46(69)58-26-12-11-20-39(47(55)70)62-50(73)42(29-35-32-60-38-19-10-9-18-36(35)38)64-48(71)40(21-14-27-59-53(56)57)63-49(72)41(28-33-15-7-6-8-16-33)65-52(75)54(66-51(43)74)25-24-37-34(31-54)17-13-22-44(37)67(2)3/h6-10,13,15-19,22,32,39-43,60H,4-5,11-12,14,20-21,23-31H2,1-3H3,(H2,55,70)(H,58,69)(H,61,68)(H,62,73)(H,63,72)(H,64,71)(H,65,75)(H,66,74)(H4,56,57,59)/t39-,40+,41-,42-,43+,54?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 480 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | BDBM50126094
(CHEMBL437822 | 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(C2)cccc3OC(C)C)NC1=O)C(N)=O Show InChI InChI=1S/C55H74N12O9/c1-4-5-23-46(68)62-44-30-47(69)59-26-12-11-20-40(48(56)70)63-51(73)43(29-36-32-61-39-19-10-9-18-37(36)39)65-49(71)41(21-14-27-60-54(57)58)64-50(72)42(28-34-15-7-6-8-16-34)66-53(75)55(67-52(44)74)25-24-38-35(31-55)17-13-22-45(38)76-33(2)3/h6-10,13,15-19,22,32-33,40-44,61H,4-5,11-12,14,20-21,23-31H2,1-3H3,(H2,56,70)(H,59,69)(H,62,68)(H,63,73)(H,64,72)(H,65,71)(H,66,75)(H,67,74)(H4,57,58,60)/t40-,41+,42-,43-,44+,55?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | BDBM50126095
((12S,16S,23R)-15-(2-Acetylamino-hexanoylamino)-9-b...)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](CCC(N)=O)NC1=O)C(N)=O |wU:25.25,61.64,39.41,wD:12.11,21.73,50.52,4.3,(5.76,-12.84,;4.56,-12.15,;4.57,-10.78,;3.37,-10.09,;3.38,-8.71,;2.18,-8.01,;.99,-8.7,;-.21,-8.01,;.99,-10.08,;4.57,-8.02,;4.58,-6.64,;5.77,-8.71,;6.96,-8.02,;7.41,-9.5,;8.24,-10.8,;7.06,-11.8,;9.39,-11.82,;10.77,-12.51,;12.29,-12.78,;13.82,-12.65,;15.26,-12.09,;16.51,-11.17,;17.45,-9.96,;18.03,-8.54,;19.52,-8.92,;18.21,-7,;19.74,-6.98,;21.21,-7.44,;22.46,-6.52,;23.71,-7.42,;23.25,-8.88,;24.02,-10.21,;23.27,-11.55,;21.73,-11.57,;20.94,-10.23,;21.71,-8.9,;17.96,-5.48,;17.32,-4.08,;18.62,-3.24,;16.32,-2.91,;17.34,-1.76,;16.86,-.3,;17.87,.87,;17.41,2.32,;15.89,2.62,;14.86,1.5,;15.4,4.1,;15.03,-2.05,;13.57,-1.57,;13.86,-.05,;12.02,-1.49,;11.88,.03,;11.11,1.39,;11.88,2.71,;11.11,4.05,;9.56,4.05,;8.79,2.69,;9.57,1.37,;10.53,-1.84,;9.17,-2.57,;8.25,-1.34,;8.08,-3.66,;6.7,-2.57,;5.07,-3.2,;3.7,-2.09,;2.07,-2.72,;3.97,-.36,;7.3,-5,;6.92,-6.5,;5.38,-6.31,;17.58,-12.28,;17.16,-13.76,;19.08,-11.9,)| Show InChI InChI=1S/C49H70N14O10/c1-3-4-16-34(57-28(2)64)43(68)63-39-26-41(66)54-22-11-10-18-33(42(51)67)58-47(72)38(25-30-27-56-32-17-9-8-15-31(30)32)62-44(69)35(19-12-23-55-49(52)53)59-46(71)37(24-29-13-6-5-7-14-29)61-45(70)36(60-48(39)73)20-21-40(50)65/h5-9,13-15,17,27,33-39,56H,3-4,10-12,16,18-26H2,1-2H3,(H2,50,65)(H2,51,67)(H,54,66)(H,57,64)(H,58,72)(H,59,71)(H,60,73)(H,61,70)(H,62,69)(H,63,68)(H4,52,53,55)/t33-,34-,35-,36-,37+,38-,39-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
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)) | BDBM50126092
(CHEMBL2371902 | MT-II cyclic peptide derivative)Show SMILES [H][C@@]12Cc3ccccc3CN1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC2=O)C(N)=O)NC(=O)CCCC |wU:26.28,40.44,wD:13.70,22.67,51.55,1.0,(-.68,1.74,;-.91,-.11,;-1.58,1.1,;-2.95,1.12,;-3.6,2.31,;-4.97,2.35,;-5.69,1.17,;-5.04,-.03,;-3.67,-.05,;-3.01,-1.26,;-1.63,-1.3,;-2.01,-2.79,;-3.54,-2.61,;-1.97,-4.32,;-1.52,-5.8,;-.69,-7.09,;-1.87,-8.09,;.46,-8.11,;1.84,-8.8,;3.34,-9.07,;4.88,-8.94,;6.32,-8.38,;7.56,-7.47,;8.5,-6.26,;9.08,-4.83,;10.57,-5.22,;9.26,-3.3,;10.8,-3.27,;12.26,-3.73,;13.5,-2.82,;14.76,-3.72,;14.29,-5.17,;15.07,-6.51,;14.31,-7.84,;12.78,-7.86,;11.99,-6.53,;12.75,-5.19,;9.01,-1.78,;8.38,-.38,;9.67,.45,;7.38,.78,;8.4,1.93,;7.92,3.39,;8.94,4.54,;8.46,6.01,;6.95,6.33,;5.92,5.18,;6.47,7.78,;6.09,1.64,;4.63,2.13,;4.92,3.64,;3.09,2.2,;2.94,3.72,;2.17,5.08,;2.94,6.41,;2.17,7.74,;.63,7.74,;-.14,6.39,;.63,5.06,;1.59,1.85,;.24,1.12,;-.68,2.35,;8.63,-8.57,;8.22,-10.05,;10.13,-8.2,;-3.49,-4.57,;-5.04,-4.57,;-5.81,-3.23,;-5.81,-5.9,;-7.35,-5.9,;-8.12,-7.24,;-9.66,-7.24,)| Show InChI InChI=1S/C51H66N12O8/c1-2-3-22-43(64)58-41-28-44(65)55-23-12-11-20-37(45(52)66)59-48(69)40(26-34-29-57-36-19-10-9-18-35(34)36)61-46(67)38(21-13-24-56-51(53)54)60-47(68)39(25-31-14-5-4-6-15-31)62-49(70)42-27-32-16-7-8-17-33(32)30-63(42)50(41)71/h4-10,14-19,29,37-42,57H,2-3,11-13,20-28,30H2,1H3,(H2,52,66)(H,55,65)(H,58,64)(H,59,69)(H,60,68)(H,61,67)(H,62,70)(H4,53,54,56)/t37-,38-,39+,40-,41-,42-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
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)) | BDBM50126096
(CHEMBL439361 | 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(C2)cccc3OCC)NC1=O)C(N)=O Show InChI InChI=1S/C54H72N12O9/c1-3-5-23-45(67)61-43-30-46(68)58-26-12-11-20-39(47(55)69)62-50(72)42(29-35-32-60-38-19-10-9-18-36(35)38)64-48(70)40(21-14-27-59-53(56)57)63-49(71)41(28-33-15-7-6-8-16-33)65-52(74)54(66-51(43)73)25-24-37-34(31-54)17-13-22-44(37)75-4-2/h6-10,13,15-19,22,32,39-43,60H,3-5,11-12,14,20-21,23-31H2,1-2H3,(H2,55,69)(H,58,68)(H,61,67)(H,62,72)(H,63,71)(H,64,70)(H,65,74)(H,66,73)(H4,56,57,59)/t39-,40+,41-,42-,43+,54?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a |
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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50126086
(CHEMBL24892 | 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)[C@@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C47H64N14O8/c1-2-3-18-39(62)56-38-24-40(63)52-19-10-9-16-33(41(48)64)57-44(67)36(22-29-25-54-32-15-8-7-14-31(29)32)60-42(65)34(17-11-20-53-47(49)50)58-43(66)35(21-28-12-5-4-6-13-28)59-45(68)37(61-46(38)69)23-30-26-51-27-55-30/h4-8,12-15,25-27,33-38,54H,2-3,9-11,16-24H2,1H3,(H2,48,64)(H,51,55)(H,52,63)(H,56,62)(H,57,67)(H,58,66)(H,59,68)(H,60,65)(H,61,69)(H4,49,50,53)/t33-,34+,35-,36-,37+,38+/m0/s1 | PDB
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UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | BDBM50126097
(CHEMBL264337 | 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(C2)cccc3C(C)C)NC1=O)C(N)=O Show InChI InChI=1S/C55H74N12O8/c1-4-5-23-46(68)62-45-30-47(69)59-26-12-11-21-41(48(56)70)63-51(73)44(29-36-32-61-40-20-10-9-18-39(36)40)65-49(71)42(22-14-27-60-54(57)58)64-50(72)43(28-34-15-7-6-8-16-34)66-53(75)55(67-52(45)74)25-24-38-35(31-55)17-13-19-37(38)33(2)3/h6-10,13,15-20,32-33,41-45,61H,4-5,11-12,14,21-31H2,1-3H3,(H2,56,70)(H,59,69)(H,62,68)(H,63,73)(H,64,72)(H,65,71)(H,66,75)(H,67,74)(H4,57,58,60)/t41-,42+,43-,44-,45+,55?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | BDBM50126098
(CHEMBL262437 | 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(CCc3cc(Cl)ccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H67ClN12O8/c1-2-3-18-43(66)60-42-28-44(67)57-23-10-9-16-38(45(54)68)61-48(71)41(27-34-30-59-37-15-8-7-14-36(34)37)63-46(69)39(17-11-24-58-51(55)56)62-47(70)40(25-31-12-5-4-6-13-31)64-50(73)52(65-49(42)72)22-21-32-26-35(53)20-19-33(32)29-52/h4-8,12-15,19-20,26,30,38-42,59H,2-3,9-11,16-18,21-25,27-29H2,1H3,(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
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)) | BDBM50126099
(CHEMBL410148 | 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)[C@@H](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O Show InChI InChI=1S/C51H65F3N12O8/c1-2-3-18-42(67)61-41-28-43(68)58-23-10-9-16-36(44(55)69)62-48(73)40(27-32-29-60-35-15-8-7-14-34(32)35)66-45(70)37(17-11-24-59-50(56)57)63-46(71)38(25-30-12-5-4-6-13-30)64-47(72)39(65-49(41)74)26-31-19-21-33(22-20-31)51(52,53)54/h4-8,12-15,19-22,29,36-41,60H,2-3,9-11,16-18,23-28H2,1H3,(H2,55,69)(H,58,68)(H,61,67)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,70)(H4,56,57,59)/t36-,37+,38-,39+,40-,41+/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)) | BDBM50126090
(CHEMBL407754 | 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(Cc3ccccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C51H66N12O8/c1-2-3-22-42(64)58-41-27-43(65)55-23-12-11-20-37(44(52)66)59-47(69)40(26-34-30-57-36-19-10-9-18-35(34)36)61-45(67)38(21-13-24-56-50(53)54)60-46(68)39(25-31-14-5-4-6-15-31)62-49(71)51(63-48(41)70)28-32-16-7-8-17-33(32)29-51/h4-10,14-19,30,37-41,57H,2-3,11-13,20-29H2,1H3,(H2,52,66)(H,55,65)(H,58,64)(H,59,69)(H,60,68)(H,61,67)(H,62,71)(H,63,70)(H4,53,54,56)/t37-,38+,39-,40-,41+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50126096
(CHEMBL439361 | 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(C2)cccc3OCC)NC1=O)C(N)=O Show InChI InChI=1S/C54H72N12O9/c1-3-5-23-45(67)61-43-30-46(68)58-26-12-11-20-39(47(55)69)62-50(72)42(29-35-32-60-38-19-10-9-18-36(35)38)64-48(70)40(21-14-27-59-53(56)57)63-49(71)41(28-33-15-7-6-8-16-33)65-52(74)54(66-51(43)73)25-24-37-34(31-54)17-13-22-44(37)75-4-2/h6-10,13,15-19,22,32,39-43,60H,3-5,11-12,14,20-21,23-31H2,1-2H3,(H2,55,69)(H,58,68)(H,61,67)(H,62,72)(H,63,71)(H,64,70)(H,65,74)(H,66,73)(H4,56,57,59)/t39-,40+,41-,42-,43+,54?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.28E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | BDBM50126088
(CHEMBL409786 | 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)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC1=O)C(N)=O Show InChI InChI=1S/C56H70N12O8/c1-2-3-23-48(69)63-47-33-49(70)60-28-13-12-21-42(50(57)71)64-54(75)46(32-39-34-62-41-20-11-10-19-40(39)41)68-51(72)43(22-14-29-61-56(58)59)65-52(73)44(30-35-15-6-4-7-16-35)66-53(74)45(67-55(47)76)31-36-24-26-38(27-25-36)37-17-8-5-9-18-37/h4-11,15-20,24-27,34,42-47,62H,2-3,12-14,21-23,28-33H2,1H3,(H2,57,71)(H,60,70)(H,63,69)(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,72)(H4,58,59,61)/t42-,43+,44-,45+,46-,47+/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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50126094
(CHEMBL437822 | 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(C2)cccc3OC(C)C)NC1=O)C(N)=O Show InChI InChI=1S/C55H74N12O9/c1-4-5-23-46(68)62-44-30-47(69)59-26-12-11-20-40(48(56)70)63-51(73)43(29-36-32-61-39-19-10-9-18-37(36)39)65-49(71)41(21-14-27-60-54(57)58)64-50(72)42(28-34-15-7-6-8-16-34)66-53(75)55(67-52(44)74)25-24-38-35(31-55)17-13-22-45(38)76-33(2)3/h6-10,13,15-19,22,32-33,40-44,61H,4-5,11-12,14,20-21,23-31H2,1-3H3,(H2,56,70)(H,59,69)(H,62,68)(H,63,73)(H,64,72)(H,65,71)(H,66,75)(H,67,74)(H4,57,58,60)/t40-,41+,42-,43-,44+,55?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
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)) | 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 | n/a | n/a | 4 | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50126102
(CHEMBL2371903 | MT-II cyclic peptide derivative)Show SMILES [H][C@]12N(Cc3ccccc13)C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC2=O)C(N)=O)NC(=O)CCCC |wU:25.27,39.43,wD:12.69,21.66,50.54,1.0,(-.8,1.71,;-.85,-.15,;-1.62,-1.3,;-2.95,-.9,;-2.98,.47,;-4.03,1.35,;-3.79,2.69,;-2.5,3.16,;-1.45,2.28,;-1.69,.93,;-2.01,-2.79,;-3.53,-2.61,;-1.97,-4.32,;-1.52,-5.8,;-.69,-7.09,;-1.87,-8.09,;.46,-8.11,;1.84,-8.8,;3.34,-9.07,;4.88,-8.94,;6.32,-8.38,;7.56,-7.46,;8.5,-6.26,;9.08,-4.83,;10.57,-5.22,;9.26,-3.3,;10.8,-3.27,;12.26,-3.73,;13.5,-2.82,;14.76,-3.72,;14.29,-5.17,;15.07,-6.51,;14.31,-7.84,;12.78,-7.86,;11.99,-6.53,;12.75,-5.19,;9.01,-1.78,;8.37,-.38,;9.67,.45,;7.37,.78,;8.4,1.93,;7.92,3.39,;8.94,4.54,;8.46,6.01,;6.94,6.33,;5.92,5.18,;6.46,7.78,;6.09,1.64,;4.63,2.12,;4.92,3.64,;3.09,2.2,;2.94,3.72,;2.17,5.08,;2.94,6.41,;2.17,7.74,;.63,7.74,;-.14,6.39,;.63,5.06,;1.59,1.85,;.24,1.12,;-.68,2.35,;8.63,-8.57,;8.21,-10.05,;10.12,-8.19,;-3.49,-4.57,;-5.03,-4.57,;-5.81,-3.23,;-5.81,-5.9,;-7.35,-5.9,;-8.12,-7.24,;-9.66,-7.24,)| Show InChI InChI=1S/C50H64N12O8/c1-2-3-22-41(63)57-40-27-42(64)54-23-12-11-20-36(44(51)65)58-47(68)39(26-32-28-56-35-19-10-9-17-33(32)35)60-45(66)37(21-13-24-55-50(52)53)59-46(67)38(25-30-14-5-4-6-15-30)61-48(69)43-34-18-8-7-16-31(34)29-62(43)49(40)70/h4-10,14-19,28,36-40,43,56H,2-3,11-13,20-27,29H2,1H3,(H2,51,65)(H,54,64)(H,57,63)(H,58,68)(H,59,67)(H,60,66)(H,61,69)(H4,52,53,55)/t36-,37-,38+,39-,40-,43-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | 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 | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
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)) | BDBM50126086
(CHEMBL24892 | 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)[C@@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C47H64N14O8/c1-2-3-18-39(62)56-38-24-40(63)52-19-10-9-16-33(41(48)64)57-44(67)36(22-29-25-54-32-15-8-7-14-31(29)32)60-42(65)34(17-11-20-53-47(49)50)58-43(66)35(21-28-12-5-4-6-13-28)59-45(68)37(61-46(38)69)23-30-26-51-27-55-30/h4-8,12-15,25-27,33-38,54H,2-3,9-11,16-24H2,1H3,(H2,48,64)(H,51,55)(H,52,63)(H,56,62)(H,57,67)(H,58,66)(H,59,68)(H,60,65)(H,61,69)(H4,49,50,53)/t33-,34+,35-,36-,37+,38+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
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)) | BDBM50126103
(CHEMBL406636 | 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(CCc3cccc(Br)c3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H67BrN12O8/c1-2-3-21-43(66)60-42-28-44(67)57-24-10-9-19-38(45(54)68)61-48(71)41(27-33-30-59-37-18-8-7-16-34(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)23-22-32-15-11-17-36(53)35(32)29-52/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
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)) | BDBM50126104
(CHEMBL2371888 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@]2(CCc3c(C)cccc3C2)NC1=O)C(N)=O |wU:20.20,34.36,wD:56.71,7.6,16.75,45.47,(-9.95,-6.39,;-8.4,-6.39,;-7.63,-5.05,;-6.09,-5.05,;-5.32,-3.72,;-6.09,-2.37,;-3.77,-3.72,;-2.25,-3.46,;-1.79,-4.95,;-.96,-6.24,;-2.14,-7.24,;.19,-7.26,;1.57,-7.94,;3.09,-8.22,;4.62,-8.08,;6.06,-7.52,;7.3,-6.62,;8.24,-5.39,;8.83,-3.97,;10.32,-4.35,;9,-2.44,;10.55,-2.41,;12.01,-2.87,;13.25,-1.95,;14.51,-2.85,;14.05,-4.32,;14.83,-5.64,;14.07,-6.99,;12.53,-7,;11.74,-5.66,;12.5,-4.33,;8.75,-.92,;8.12,.48,;9.41,1.31,;7.12,1.66,;8.14,2.81,;7.66,4.27,;8.68,5.42,;8.2,6.89,;6.69,7.19,;5.66,6.05,;6.21,8.66,;5.83,2.52,;4.37,3,;4.65,4.52,;2.82,3.07,;2.68,4.61,;1.91,5.94,;.36,5.94,;-.41,7.27,;.36,8.61,;1.91,8.63,;2.68,7.27,;1.32,2.73,;-.03,1.98,;-.6,3.53,;-1.13,.71,;-1.13,2.1,;-2.33,2.79,;-3.52,2.09,;-4.71,2.78,;-4.7,4.15,;-5.9,2.09,;-5.9,.71,;-4.71,.02,;-3.52,.71,;-2.33,.02,;-2.15,-.94,;-2.31,-2.14,;-4.08,-2.3,;8.38,-7.72,;7.96,-9.2,;9.87,-7.33,)| Show InChI InChI=1S/C53H70N12O8/c1-3-4-22-44(66)60-43-29-45(67)57-25-11-10-20-39(46(54)68)61-49(71)42(28-35-31-59-38-19-9-8-18-37(35)38)63-47(69)40(21-13-26-58-52(55)56)62-48(70)41(27-33-15-6-5-7-16-33)64-51(73)53(65-50(43)72)24-23-36-32(2)14-12-17-34(36)30-53/h5-9,12,14-19,31,39-43,59H,3-4,10-11,13,20-30H2,1-2H3,(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)/t39-,40-,41+,42-,43-,53-/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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50126083
(CHEMBL2371887 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@]2(CCc3c(CC)cccc3C2)NC1=O)C(N)=O |wU:20.20,34.36,wD:56.72,7.6,16.76,45.47,(-9.95,-6.39,;-8.4,-6.39,;-7.63,-5.05,;-6.09,-5.05,;-5.32,-3.72,;-6.09,-2.37,;-3.77,-3.72,;-2.25,-3.46,;-1.79,-4.95,;-.96,-6.24,;-2.14,-7.24,;.19,-7.26,;1.57,-7.94,;3.09,-8.22,;4.62,-8.08,;6.06,-7.52,;7.3,-6.62,;8.24,-5.39,;8.83,-3.97,;10.32,-4.35,;9,-2.44,;10.55,-2.41,;12.01,-2.87,;13.25,-1.95,;14.51,-2.85,;14.05,-4.32,;14.83,-5.64,;14.07,-6.99,;12.53,-7,;11.74,-5.66,;12.5,-4.33,;8.75,-.92,;8.12,.48,;9.41,1.31,;7.12,1.66,;8.14,2.81,;7.66,4.27,;8.68,5.42,;8.2,6.89,;6.69,7.19,;5.66,6.05,;6.21,8.66,;5.83,2.52,;4.37,3,;4.65,4.52,;2.82,3.07,;2.68,4.61,;1.91,5.94,;2.68,7.27,;1.91,8.63,;.36,8.61,;-.41,7.27,;.36,5.94,;1.32,2.73,;-.03,1.98,;-.6,3.53,;-1.13,.71,;-1.13,2.1,;-2.33,2.79,;-3.52,2.09,;-4.71,2.78,;-4.7,4.15,;-3.51,4.84,;-5.9,2.09,;-5.9,.71,;-4.71,.02,;-3.52,.71,;-2.33,.02,;-2.15,-.94,;-2.31,-2.14,;-4.08,-2.3,;8.38,-7.72,;7.96,-9.2,;9.87,-7.33,)| Show InChI InChI=1S/C54H72N12O8/c1-3-5-23-45(67)61-44-30-46(68)58-26-12-11-21-40(47(55)69)62-50(72)43(29-36-32-60-39-20-10-9-19-38(36)39)64-48(70)41(22-14-27-59-53(56)57)63-49(71)42(28-33-15-7-6-8-16-33)65-52(74)54(66-51(44)73)25-24-37-34(4-2)17-13-18-35(37)31-54/h6-10,13,15-20,32,40-44,60H,3-5,11-12,14,21-31H2,1-2H3,(H2,55,69)(H,58,68)(H,61,67)(H,62,72)(H,63,71)(H,64,70)(H,65,74)(H,66,73)(H4,56,57,59)/t40-,41-,42+,43-,44-,54-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | BDBM50126093
(CHEMBL386871 | 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(C2)cccc3N(C)C)NC1=O)C(N)=O Show InChI InChI=1S/C54H73N13O8/c1-4-5-23-45(68)61-43-30-46(69)58-26-12-11-20-39(47(55)70)62-50(73)42(29-35-32-60-38-19-10-9-18-36(35)38)64-48(71)40(21-14-27-59-53(56)57)63-49(72)41(28-33-15-7-6-8-16-33)65-52(75)54(66-51(43)74)25-24-37-34(31-54)17-13-22-44(37)67(2)3/h6-10,13,15-19,22,32,39-43,60H,4-5,11-12,14,20-21,23-31H2,1-3H3,(H2,55,70)(H,58,69)(H,61,68)(H,62,73)(H,63,72)(H,64,71)(H,65,75)(H,66,74)(H4,56,57,59)/t39-,40+,41-,42-,43+,54?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
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)) | BDBM50126101
(CHEMBL438286 | 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(Br)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H67BrN12O8/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 | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
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)) | BDBM50126097
(CHEMBL264337 | 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(C2)cccc3C(C)C)NC1=O)C(N)=O Show InChI InChI=1S/C55H74N12O8/c1-4-5-23-46(68)62-45-30-47(69)59-26-12-11-21-41(48(56)70)63-51(73)44(29-36-32-61-40-20-10-9-18-39(36)40)65-49(71)42(22-14-27-60-54(57)58)64-50(72)43(28-34-15-7-6-8-16-34)66-53(75)55(67-52(45)74)25-24-38-35(31-55)17-13-19-37(38)33(2)3/h6-10,13,15-20,32-33,41-45,61H,4-5,11-12,14,21-31H2,1-3H3,(H2,56,70)(H,59,69)(H,62,68)(H,63,73)(H,64,72)(H,65,71)(H,66,75)(H,67,74)(H4,57,58,60)/t41-,42+,43-,44-,45+,55?/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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50126099
(CHEMBL410148 | 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)[C@@H](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O Show InChI InChI=1S/C51H65F3N12O8/c1-2-3-18-42(67)61-41-28-43(68)58-23-10-9-16-36(44(55)69)62-48(73)40(27-32-29-60-35-15-8-7-14-34(32)35)66-45(70)37(17-11-24-59-50(56)57)63-46(71)38(25-30-12-5-4-6-13-30)64-47(72)39(65-49(41)74)26-31-19-21-33(22-20-31)51(52,53)54/h4-8,12-15,19-22,29,36-41,60H,2-3,9-11,16-18,23-28H2,1H3,(H2,55,69)(H,58,68)(H,61,67)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,70)(H4,56,57,59)/t36-,37+,38-,39+,40-,41+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | BDBM50126105
(CHEMBL2371880 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@]2(CCc3c(C2)cccc3OC)NC1=O)C(N)=O |wU:20.20,34.36,wD:56.72,7.6,16.76,45.47,(-9.95,-6.39,;-8.4,-6.39,;-7.63,-5.05,;-6.09,-5.05,;-5.31,-3.71,;-6.09,-2.37,;-3.77,-3.71,;-2.25,-3.46,;-1.79,-4.95,;-.96,-6.24,;-2.14,-7.24,;.19,-7.26,;1.57,-7.94,;3.09,-8.22,;4.62,-8.08,;6.06,-7.52,;7.3,-6.62,;8.24,-5.39,;8.83,-3.97,;10.32,-4.35,;9,-2.44,;10.55,-2.41,;12.01,-2.87,;13.25,-1.95,;14.51,-2.84,;14.04,-4.32,;14.82,-5.64,;14.06,-6.99,;12.53,-7,;11.73,-5.66,;12.5,-4.33,;8.75,-.92,;8.12,.48,;9.41,1.31,;7.12,1.66,;8.14,2.81,;7.66,4.27,;8.68,5.42,;8.2,6.89,;6.68,7.19,;5.66,6.04,;6.2,8.66,;5.83,2.52,;4.37,3,;4.65,4.52,;2.82,3.07,;2.68,4.6,;1.91,5.94,;2.68,7.27,;1.91,8.63,;.36,8.6,;-.41,7.27,;.36,5.94,;1.32,2.73,;-.03,1.98,;-.6,3.53,;-1.13,.71,;-1.13,2.1,;-2.33,2.79,;-3.52,2.09,;-3.52,.71,;-2.33,.02,;-4.71,.02,;-5.9,.71,;-5.9,2.09,;-4.71,2.78,;-4.71,4.17,;-5.9,4.86,;-2.15,-.94,;-2.31,-2.14,;-4.08,-2.3,;8.37,-7.72,;7.96,-9.2,;9.87,-7.33,)| Show InChI InChI=1S/C53H70N12O9/c1-3-4-22-44(66)60-42-29-45(67)57-25-11-10-19-38(46(54)68)61-49(71)41(28-34-31-59-37-18-9-8-17-35(34)37)63-47(69)39(20-13-26-58-52(55)56)62-48(70)40(27-32-14-6-5-7-15-32)64-51(73)53(65-50(42)72)24-23-36-33(30-53)16-12-21-43(36)74-2/h5-9,12,14-18,21,31,38-42,59H,3-4,10-11,13,19-20,22-30H2,1-2H3,(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-,53-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 735 | n/a | n/a | n/a | n/a |
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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50126084
(CHEMBL412174 | 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(CCc3ccc(Br)cc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H67BrN12O8/c1-2-3-18-43(66)60-42-28-44(67)57-23-10-9-16-38(45(54)68)61-48(71)41(27-34-30-59-37-15-8-7-14-36(34)37)63-46(69)39(17-11-24-58-51(55)56)62-47(70)40(25-31-12-5-4-6-13-31)64-50(73)52(65-49(42)72)22-21-32-19-20-35(53)26-33(32)29-52/h4-8,12-15,19-20,26,30,38-42,59H,2-3,9-11,16-18,21-25,27-29H2,1H3,(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 | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | BDBM50126105
(CHEMBL2371880 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@]2(CCc3c(C2)cccc3OC)NC1=O)C(N)=O |wU:20.20,34.36,wD:56.72,7.6,16.76,45.47,(-9.95,-6.39,;-8.4,-6.39,;-7.63,-5.05,;-6.09,-5.05,;-5.31,-3.71,;-6.09,-2.37,;-3.77,-3.71,;-2.25,-3.46,;-1.79,-4.95,;-.96,-6.24,;-2.14,-7.24,;.19,-7.26,;1.57,-7.94,;3.09,-8.22,;4.62,-8.08,;6.06,-7.52,;7.3,-6.62,;8.24,-5.39,;8.83,-3.97,;10.32,-4.35,;9,-2.44,;10.55,-2.41,;12.01,-2.87,;13.25,-1.95,;14.51,-2.84,;14.04,-4.32,;14.82,-5.64,;14.06,-6.99,;12.53,-7,;11.73,-5.66,;12.5,-4.33,;8.75,-.92,;8.12,.48,;9.41,1.31,;7.12,1.66,;8.14,2.81,;7.66,4.27,;8.68,5.42,;8.2,6.89,;6.68,7.19,;5.66,6.04,;6.2,8.66,;5.83,2.52,;4.37,3,;4.65,4.52,;2.82,3.07,;2.68,4.6,;1.91,5.94,;2.68,7.27,;1.91,8.63,;.36,8.6,;-.41,7.27,;.36,5.94,;1.32,2.73,;-.03,1.98,;-.6,3.53,;-1.13,.71,;-1.13,2.1,;-2.33,2.79,;-3.52,2.09,;-3.52,.71,;-2.33,.02,;-4.71,.02,;-5.9,.71,;-5.9,2.09,;-4.71,2.78,;-4.71,4.17,;-5.9,4.86,;-2.15,-.94,;-2.31,-2.14,;-4.08,-2.3,;8.37,-7.72,;7.96,-9.2,;9.87,-7.33,)| Show InChI InChI=1S/C53H70N12O9/c1-3-4-22-44(66)60-42-29-45(67)57-25-11-10-19-38(46(54)68)61-49(71)41(28-34-31-59-37-18-9-8-17-35(34)37)63-47(69)39(20-13-26-58-52(55)56)62-48(70)40(27-32-14-6-5-7-15-32)64-51(73)53(65-50(42)72)24-23-36-33(30-53)16-12-21-43(36)74-2/h5-9,12,14-18,21,31,38-42,59H,3-4,10-11,13,19-20,22-30H2,1-2H3,(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-,53-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
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)) | BDBM50126102
(CHEMBL2371903 | MT-II cyclic peptide derivative)Show SMILES [H][C@]12N(Cc3ccccc13)C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC2=O)C(N)=O)NC(=O)CCCC |wU:25.27,39.43,wD:12.69,21.66,50.54,1.0,(-.8,1.71,;-.85,-.15,;-1.62,-1.3,;-2.95,-.9,;-2.98,.47,;-4.03,1.35,;-3.79,2.69,;-2.5,3.16,;-1.45,2.28,;-1.69,.93,;-2.01,-2.79,;-3.53,-2.61,;-1.97,-4.32,;-1.52,-5.8,;-.69,-7.09,;-1.87,-8.09,;.46,-8.11,;1.84,-8.8,;3.34,-9.07,;4.88,-8.94,;6.32,-8.38,;7.56,-7.46,;8.5,-6.26,;9.08,-4.83,;10.57,-5.22,;9.26,-3.3,;10.8,-3.27,;12.26,-3.73,;13.5,-2.82,;14.76,-3.72,;14.29,-5.17,;15.07,-6.51,;14.31,-7.84,;12.78,-7.86,;11.99,-6.53,;12.75,-5.19,;9.01,-1.78,;8.37,-.38,;9.67,.45,;7.37,.78,;8.4,1.93,;7.92,3.39,;8.94,4.54,;8.46,6.01,;6.94,6.33,;5.92,5.18,;6.46,7.78,;6.09,1.64,;4.63,2.12,;4.92,3.64,;3.09,2.2,;2.94,3.72,;2.17,5.08,;2.94,6.41,;2.17,7.74,;.63,7.74,;-.14,6.39,;.63,5.06,;1.59,1.85,;.24,1.12,;-.68,2.35,;8.63,-8.57,;8.21,-10.05,;10.12,-8.19,;-3.49,-4.57,;-5.03,-4.57,;-5.81,-3.23,;-5.81,-5.9,;-7.35,-5.9,;-8.12,-7.24,;-9.66,-7.24,)| Show InChI InChI=1S/C50H64N12O8/c1-2-3-22-41(63)57-40-27-42(64)54-23-12-11-20-36(44(51)65)58-47(68)39(26-32-28-56-35-19-10-9-17-33(32)35)60-45(66)37(21-13-24-55-50(52)53)59-46(67)38(25-30-14-5-4-6-15-30)61-48(69)43-34-18-8-7-16-31(34)29-62(43)49(40)70/h4-10,14-19,28,36-40,43,56H,2-3,11-13,20-27,29H2,1H3,(H2,51,65)(H,54,64)(H,57,63)(H,58,68)(H,59,67)(H,60,66)(H,61,69)(H4,52,53,55)/t36-,37-,38+,39-,40-,43-/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 | |
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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| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
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)) | BDBM50126088
(CHEMBL409786 | 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)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC1=O)C(N)=O Show InChI InChI=1S/C56H70N12O8/c1-2-3-23-48(69)63-47-33-49(70)60-28-13-12-21-42(50(57)71)64-54(75)46(32-39-34-62-41-20-11-10-19-40(39)41)68-51(72)43(22-14-29-61-56(58)59)65-52(73)44(30-35-15-6-4-7-16-35)66-53(74)45(67-55(47)76)31-36-24-26-38(27-25-36)37-17-8-5-9-18-37/h4-11,15-20,24-27,34,42-47,62H,2-3,12-14,21-23,28-33H2,1H3,(H2,57,71)(H,60,70)(H,63,69)(H,64,75)(H,65,73)(H,66,74)(H,67,76)(H,68,72)(H4,58,59,61)/t42-,43+,44-,45+,46-,47+/m0/s1 | PDB
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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 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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| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50126102
(CHEMBL2371903 | MT-II cyclic peptide derivative)Show SMILES [H][C@]12N(Cc3ccccc13)C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC2=O)C(N)=O)NC(=O)CCCC |wU:25.27,39.43,wD:12.69,21.66,50.54,1.0,(-.8,1.71,;-.85,-.15,;-1.62,-1.3,;-2.95,-.9,;-2.98,.47,;-4.03,1.35,;-3.79,2.69,;-2.5,3.16,;-1.45,2.28,;-1.69,.93,;-2.01,-2.79,;-3.53,-2.61,;-1.97,-4.32,;-1.52,-5.8,;-.69,-7.09,;-1.87,-8.09,;.46,-8.11,;1.84,-8.8,;3.34,-9.07,;4.88,-8.94,;6.32,-8.38,;7.56,-7.46,;8.5,-6.26,;9.08,-4.83,;10.57,-5.22,;9.26,-3.3,;10.8,-3.27,;12.26,-3.73,;13.5,-2.82,;14.76,-3.72,;14.29,-5.17,;15.07,-6.51,;14.31,-7.84,;12.78,-7.86,;11.99,-6.53,;12.75,-5.19,;9.01,-1.78,;8.37,-.38,;9.67,.45,;7.37,.78,;8.4,1.93,;7.92,3.39,;8.94,4.54,;8.46,6.01,;6.94,6.33,;5.92,5.18,;6.46,7.78,;6.09,1.64,;4.63,2.12,;4.92,3.64,;3.09,2.2,;2.94,3.72,;2.17,5.08,;2.94,6.41,;2.17,7.74,;.63,7.74,;-.14,6.39,;.63,5.06,;1.59,1.85,;.24,1.12,;-.68,2.35,;8.63,-8.57,;8.21,-10.05,;10.12,-8.19,;-3.49,-4.57,;-5.03,-4.57,;-5.81,-3.23,;-5.81,-5.9,;-7.35,-5.9,;-8.12,-7.24,;-9.66,-7.24,)| Show InChI InChI=1S/C50H64N12O8/c1-2-3-22-41(63)57-40-27-42(64)54-23-12-11-20-36(44(51)65)58-47(68)39(26-32-28-56-35-19-10-9-17-33(32)35)60-45(66)37(21-13-24-55-50(52)53)59-46(67)38(25-30-14-5-4-6-15-30)61-48(69)43-34-18-8-7-16-31(34)29-62(43)49(40)70/h4-10,14-19,28,36-40,43,56H,2-3,11-13,20-27,29H2,1H3,(H2,51,65)(H,54,64)(H,57,63)(H,58,68)(H,59,67)(H,60,66)(H,61,69)(H4,52,53,55)/t36-,37-,38+,39-,40-,43-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a |
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)) | BDBM50126102
(CHEMBL2371903 | MT-II cyclic peptide derivative)Show SMILES [H][C@]12N(Cc3ccccc13)C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC2=O)C(N)=O)NC(=O)CCCC |wU:25.27,39.43,wD:12.69,21.66,50.54,1.0,(-.8,1.71,;-.85,-.15,;-1.62,-1.3,;-2.95,-.9,;-2.98,.47,;-4.03,1.35,;-3.79,2.69,;-2.5,3.16,;-1.45,2.28,;-1.69,.93,;-2.01,-2.79,;-3.53,-2.61,;-1.97,-4.32,;-1.52,-5.8,;-.69,-7.09,;-1.87,-8.09,;.46,-8.11,;1.84,-8.8,;3.34,-9.07,;4.88,-8.94,;6.32,-8.38,;7.56,-7.46,;8.5,-6.26,;9.08,-4.83,;10.57,-5.22,;9.26,-3.3,;10.8,-3.27,;12.26,-3.73,;13.5,-2.82,;14.76,-3.72,;14.29,-5.17,;15.07,-6.51,;14.31,-7.84,;12.78,-7.86,;11.99,-6.53,;12.75,-5.19,;9.01,-1.78,;8.37,-.38,;9.67,.45,;7.37,.78,;8.4,1.93,;7.92,3.39,;8.94,4.54,;8.46,6.01,;6.94,6.33,;5.92,5.18,;6.46,7.78,;6.09,1.64,;4.63,2.12,;4.92,3.64,;3.09,2.2,;2.94,3.72,;2.17,5.08,;2.94,6.41,;2.17,7.74,;.63,7.74,;-.14,6.39,;.63,5.06,;1.59,1.85,;.24,1.12,;-.68,2.35,;8.63,-8.57,;8.21,-10.05,;10.12,-8.19,;-3.49,-4.57,;-5.03,-4.57,;-5.81,-3.23,;-5.81,-5.9,;-7.35,-5.9,;-8.12,-7.24,;-9.66,-7.24,)| Show InChI InChI=1S/C50H64N12O8/c1-2-3-22-41(63)57-40-27-42(64)54-23-12-11-20-36(44(51)65)58-47(68)39(26-32-28-56-35-19-10-9-17-33(32)35)60-45(66)37(21-13-24-55-50(52)53)59-46(67)38(25-30-14-5-4-6-15-30)61-48(69)43-34-18-8-7-16-31(34)29-62(43)49(40)70/h4-10,14-19,28,36-40,43,56H,2-3,11-13,20-27,29H2,1H3,(H2,51,65)(H,54,64)(H,57,63)(H,58,68)(H,59,67)(H,60,66)(H,61,69)(H4,52,53,55)/t36-,37-,38+,39-,40-,43-/m0/s1 | PDB
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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 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
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 | |
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)) | BDBM50126101
(CHEMBL438286 | 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(Br)cccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C52H67BrN12O8/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 (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)) | 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
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 4
(Homo sapiens (Human)) | BDBM50126089
(CHEMBL2371913 | 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](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@]2(CCc3ccccc3C2)NC1=O)C(N)=O |wU:20.20,34.36,wD:56.70,7.6,16.74,45.47,(-4.45,-10.9,;-2.91,-10.9,;-2.14,-9.56,;-.6,-9.56,;.17,-8.23,;-.6,-6.88,;1.72,-8.23,;3.26,-7.98,;3.69,-9.46,;4.53,-10.75,;3.36,-11.75,;5.67,-11.77,;7.05,-12.45,;8.57,-12.73,;10.09,-12.58,;11.55,-12.04,;12.78,-11.13,;13.72,-9.9,;14.3,-8.48,;15.8,-8.86,;14.49,-6.96,;16.01,-6.92,;17.49,-7.38,;18.72,-6.47,;19.97,-7.36,;19.51,-8.83,;20.28,-10.15,;19.53,-11.5,;17.99,-11.51,;17.22,-10.17,;17.97,-8.84,;14.24,-5.44,;13.59,-4.04,;14.88,-3.21,;12.59,-2.86,;13.61,-1.72,;13.13,-.26,;14.15,.9,;13.68,2.35,;12.17,2.67,;11.13,1.52,;11.67,4.12,;11.3,-2.01,;9.84,-1.52,;10.13,-.01,;8.32,-1.46,;8.17,.08,;7.4,1.42,;8.17,2.75,;7.4,4.08,;5.84,4.08,;5.07,2.74,;5.86,1.41,;6.82,-1.8,;5.47,-2.54,;4.88,-1,;4.36,-3.81,;4.36,-2.42,;3.17,-1.74,;1.99,-2.44,;.8,-1.75,;-.39,-2.44,;-.39,-3.81,;.8,-4.5,;1.99,-3.81,;3.17,-4.5,;3.57,-5.25,;3.22,-6.44,;1.42,-6.81,;13.86,-12.23,;13.45,-13.71,;15.34,-11.84,)| Show InChI InChI=1S/C52H68N12O8/c1-2-3-22-43(65)59-42-29-44(66)56-25-12-11-20-38(45(53)67)60-48(70)41(28-35-31-58-37-19-10-9-18-36(35)37)62-46(68)39(21-13-26-57-51(54)55)61-47(69)40(27-32-14-5-4-6-15-32)63-50(72)52(64-49(42)71)24-23-33-16-7-8-17-34(33)30-52/h4-10,14-19,31,38-42,58H,2-3,11-13,20-30H2,1H3,(H2,53,67)(H,56,66)(H,59,65)(H,60,70)(H,61,69)(H,62,68)(H,63,72)(H,64,71)(H4,54,55,57)/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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50126090
(CHEMBL407754 | 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(Cc3ccccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C51H66N12O8/c1-2-3-22-42(64)58-41-27-43(65)55-23-12-11-20-37(44(52)66)59-47(69)40(26-34-30-57-36-19-10-9-18-35(34)36)61-45(67)38(21-13-24-56-50(53)54)60-46(68)39(25-31-14-5-4-6-15-31)62-49(71)51(63-48(41)70)28-32-16-7-8-17-33(32)29-51/h4-10,14-19,30,37-41,57H,2-3,11-13,20-29H2,1H3,(H2,52,66)(H,55,65)(H,58,64)(H,59,69)(H,60,68)(H,61,67)(H,62,71)(H,63,70)(H4,53,54,56)/t37-,38+,39-,40-,41+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity at human melanocortin receptor (hMC1R). |
Bioorg Med Chem Lett 13: 1307-11 (2003)
BindingDB Entry DOI: 10.7270/Q21J994C |
More data for this
Ligand-Target Pair | |
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