Found 58 hits of Enzyme Inhibition Constant Data 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 |
|---|
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 | 105 | 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 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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| 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)) | 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)) | 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 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 | |
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 | |
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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| n/a | n/a | 5.10E+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 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 | |
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)) | 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)) | 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)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
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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)) | 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)) | BDBM82411
(CAS_75921-69-6 | NDP-MSH)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.5 | 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)) | 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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| n/a | n/a | n/a | n/a | 130 | 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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121891
((S)-2-[(S)-2-((S)-2-Butyrylamino-propionylamino)-3...)Show SMILES CCCC(=O)N[C@@H](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/C35H48N10O6/c1-3-10-30(47)42-21(2)31(48)44-27(17-22-11-5-4-6-12-22)34(51)43-26(15-9-16-39-35(37)38)33(50)45-28(32(49)41-20-29(36)46)18-23-19-40-25-14-8-7-13-24(23)25/h4-8,11-14,19,21,26-28,40H,3,9-10,15-18,20H2,1-2H3,(H2,36,46)(H,41,49)(H,42,47)(H,43,51)(H,44,48)(H,45,50)(H4,37,38,39)/t21-,26-,27+,28-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 180 | 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)) | BDBM50121898
(5-Methyl-2-pentanoylamino-1,2,3,4-tetrahydro-napht...)Show SMILES CCCCC(=O)NC1(CCc2c(C)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/C45H58N10O6/c1-3-4-19-39(57)55-45(21-20-32-28(2)12-10-15-30(32)25-45)43(61)54-36(23-29-13-6-5-7-14-29)42(60)52-35(18-11-22-49-44(47)48)41(59)53-37(40(58)51-27-38(46)56)24-31-26-50-34-17-9-8-16-33(31)34/h5-10,12-17,26,35-37,50H,3-4,11,18-25,27H2,1-2H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t35-,36+,37-,45?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.22E+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)) | 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 | 35 | n/a | n/a | n/a | n/a |
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)) | 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 | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121889
(5-Isopropoxy-2-pentanoylamino-1,2,3,4-tetrahydro-n...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2OC(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/C47H62N10O7/c1-4-5-20-41(59)57-47(22-21-34-31(26-47)15-11-19-39(34)64-29(2)3)45(63)56-37(24-30-13-7-6-8-14-30)44(62)54-36(18-12-23-51-46(49)50)43(61)55-38(42(60)53-28-40(48)58)25-32-27-52-35-17-10-9-16-33(32)35/h6-11,13-17,19,27,29,36-38,52H,4-5,12,18,20-26,28H2,1-3H3,(H2,48,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,49,50,51)/t36-,37+,38-,47?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 680 | 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)) | 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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| n/a | n/a | n/a | n/a | 130 | 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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.800 | 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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| 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)) | 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 | |
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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121886
(5-Ethoxy-2-pentanoylamino-1,2,3,4-tetrahydro-napht...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2OCC)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/C46H60N10O7/c1-3-5-20-40(58)56-46(22-21-33-30(26-46)15-11-19-38(33)63-4-2)44(62)55-36(24-29-13-7-6-8-14-29)43(61)53-35(18-12-23-50-45(48)49)42(60)54-37(41(59)52-28-39(47)57)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,3-5,12,18,20-26,28H2,1-2H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t35-,36+,37-,46?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 120 | 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)) | BDBM50121893
(5-Isopropyl-2-pentanoylamino-1,2,3,4-tetrahydro-na...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2C(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/C47H62N10O6/c1-4-5-20-41(59)57-47(22-21-34-31(26-47)15-11-17-33(34)29(2)3)45(63)56-38(24-30-13-7-6-8-14-30)44(62)54-37(19-12-23-51-46(49)50)43(61)55-39(42(60)53-28-40(48)58)25-32-27-52-36-18-10-9-16-35(32)36/h6-11,13-18,27,29,37-39,52H,4-5,12,19-26,28H2,1-3H3,(H2,48,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,49,50,51)/t37-,38+,39-,47?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 295 | 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)) | 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)) | 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)) | 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
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)) | 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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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)) | BDBM50121891
((S)-2-[(S)-2-((S)-2-Butyrylamino-propionylamino)-3...)Show SMILES CCCC(=O)N[C@@H](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/C35H48N10O6/c1-3-10-30(47)42-21(2)31(48)44-27(17-22-11-5-4-6-12-22)34(51)43-26(15-9-16-39-35(37)38)33(50)45-28(32(49)41-20-29(36)46)18-23-19-40-25-14-8-7-13-24(23)25/h4-8,11-14,19,21,26-28,40H,3,9-10,15-18,20H2,1-2H3,(H2,36,46)(H,41,49)(H,42,47)(H,43,51)(H,44,48)(H,45,50)(H4,37,38,39)/t21-,26-,27+,28-/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)) | BDBM50121889
(5-Isopropoxy-2-pentanoylamino-1,2,3,4-tetrahydro-n...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2OC(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/C47H62N10O7/c1-4-5-20-41(59)57-47(22-21-34-31(26-47)15-11-19-39(34)64-29(2)3)45(63)56-37(24-30-13-7-6-8-14-30)44(62)54-36(18-12-23-51-46(49)50)43(61)55-38(42(60)53-28-40(48)58)25-32-27-52-35-17-10-9-16-33(32)35/h6-11,13-17,19,27,29,36-38,52H,4-5,12,18,20-26,28H2,1-3H3,(H2,48,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,49,50,51)/t36-,37+,38-,47?/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)) | BDBM50029747
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 25 | 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)) | BDBM50121895
(5-Ethyl-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2c(CC)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/C46H60N10O6/c1-3-5-20-40(58)56-46(22-21-33-30(4-2)15-11-16-31(33)26-46)44(62)55-37(24-29-13-7-6-8-14-29)43(61)53-36(19-12-23-50-45(48)49)42(60)54-38(41(59)52-28-39(47)57)25-32-27-51-35-18-10-9-17-34(32)35/h6-11,13-18,27,36-38,51H,3-5,12,19-26,28H2,1-2H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t36-,37+,38-,46?/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 | |
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 | |
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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| 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)) | 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 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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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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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)) | 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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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)) | BDBM50121887
(5-Methoxy-2-pentanoylamino-1,2,3,4-tetrahydro-naph...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2OC)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/C45H58N10O7/c1-3-4-19-39(57)55-45(21-20-32-29(25-45)14-10-18-37(32)62-2)43(61)54-35(23-28-12-6-5-7-13-28)42(60)52-34(17-11-22-49-44(47)48)41(59)53-36(40(58)51-27-38(46)56)24-30-26-50-33-16-9-8-15-31(30)33/h5-10,12-16,18,26,34-36,50H,3-4,11,17,19-25,27H2,1-2H3,(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-,45?/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)) | 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
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)) | 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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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)) | 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
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)) | BDBM50121893
(5-Isopropyl-2-pentanoylamino-1,2,3,4-tetrahydro-na...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2C(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/C47H62N10O6/c1-4-5-20-41(59)57-47(22-21-34-31(26-47)15-11-17-33(34)29(2)3)45(63)56-38(24-30-13-7-6-8-14-30)44(62)54-37(19-12-23-51-46(49)50)43(61)55-39(42(60)53-28-40(48)58)25-32-27-52-36-18-10-9-16-35(32)36/h6-11,13-18,27,29,37-39,52H,4-5,12,19-26,28H2,1-3H3,(H2,48,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,49,50,51)/t37-,38+,39-,47?/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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121886
(5-Ethoxy-2-pentanoylamino-1,2,3,4-tetrahydro-napht...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2OCC)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/C46H60N10O7/c1-3-5-20-40(58)56-46(22-21-33-30(26-46)15-11-19-38(33)63-4-2)44(62)55-36(24-29-13-7-6-8-14-29)43(61)53-35(18-12-23-50-45(48)49)42(60)54-37(41(59)52-28-39(47)57)25-31-27-51-34-17-10-9-16-32(31)34/h6-11,13-17,19,27,35-37,51H,3-5,12,18,20-26,28H2,1-2H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(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 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 | |
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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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)) | BDBM50121898
(5-Methyl-2-pentanoylamino-1,2,3,4-tetrahydro-napht...)Show SMILES CCCCC(=O)NC1(CCc2c(C)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/C45H58N10O6/c1-3-4-19-39(57)55-45(21-20-32-28(2)12-10-15-30(32)25-45)43(61)54-36(23-29-13-6-5-7-14-29)42(60)52-35(18-11-22-49-44(47)48)41(59)53-37(40(58)51-27-38(46)56)24-31-26-50-34-17-9-8-16-33(31)34/h5-10,12-17,26,35-37,50H,3-4,11,18-25,27H2,1-2H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t35-,36+,37-,45?/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)) | BDBM50121895
(5-Ethyl-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2c(CC)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/C46H60N10O6/c1-3-5-20-40(58)56-46(22-21-33-30(4-2)15-11-16-31(33)26-46)44(62)55-37(24-29-13-7-6-8-14-29)43(61)53-36(19-12-23-50-45(48)49)42(60)54-38(41(59)52-28-39(47)57)25-32-27-51-35-18-10-9-17-34(32)35/h6-11,13-18,27,36-38,51H,3-5,12,19-26,28H2,1-2H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t36-,37+,38-,46?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 24 | 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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 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)) | BDBM50121887
(5-Methoxy-2-pentanoylamino-1,2,3,4-tetrahydro-naph...)Show SMILES CCCCC(=O)NC1(CCc2c(C1)cccc2OC)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/C45H58N10O7/c1-3-4-19-39(57)55-45(21-20-32-29(25-45)14-10-18-37(32)62-2)43(61)54-35(23-28-12-6-5-7-13-28)42(60)52-34(17-11-22-49-44(47)48)41(59)53-36(40(58)51-27-38(46)56)24-30-26-50-33-16-9-8-15-31(30)33/h5-10,12-16,18,26,34-36,50H,3-4,11,17,19-25,27H2,1-2H3,(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-,45?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 90 | 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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 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 | |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 890 | 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 | |
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