Found 92 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)) | BDBM50105879
(15-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41+,42+,43-,44+,45+/m1/s1 | PDB
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PC cid
PC sid
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Similars
| PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105879
(15-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41+,42+,43-,44+,45+/m1/s1 | PDB
UniProtKB/SwissProt
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105880
(15-Acetylamino-6-(3-guanidino-propyl)-12-(3H-imida...)Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C48H60N14O8/c1-27(63)57-40-23-41(64)53-17-7-6-13-35(42(49)65)58-45(68)38(21-31-24-55-34-12-5-4-11-33(31)34)61-43(66)36(14-8-18-54-48(50)51)59-44(67)37(20-28-15-16-29-9-2-3-10-30(29)19-28)60-46(69)39(62-47(40)70)22-32-25-52-26-56-32/h2-5,9-12,15-16,19,24-26,35-40,55H,6-8,13-14,17-18,20-23H2,1H3,(H2,49,65)(H,52,56)(H,53,64)(H,57,63)(H,58,68)(H,59,67)(H,60,69)(H,61,66)(H,62,70)(H4,50,51,54)/t35-,36+,37-,38-,39+,40+/m1/s1 | PDB
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| 0.0960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105879
(15-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41+,42+,43-,44+,45+/m1/s1 | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105893
(9-(3-Guanidino-propyl)-15-(3H-imidazol-4-ylmethyl)...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C43H51N13O7/c44-38(59)35-22-50-36(57)13-14-37(58)52-34(19-28-21-47-23-51-28)42(63)54-32(17-24-11-12-25-6-1-2-7-26(25)16-24)40(61)53-31(10-5-15-48-43(45)46)39(60)55-33(41(62)56-35)18-27-20-49-30-9-4-3-8-29(27)30/h1-4,6-9,11-12,16,20-21,23,31-35,49H,5,10,13-15,17-19,22H2,(H2,44,59)(H,47,51)(H,50,57)(H,52,58)(H,53,61)(H,54,63)(H,55,60)(H,56,62)(H4,45,46,48)/t31-,32-,33+,34-,35?/m0/s1 | PDB
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105892
(12-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C48H64N12O8/c1-3-4-15-36(55-28(2)61)43(64)60-40-26-41(62)52-21-10-9-17-35(42(49)63)56-46(67)39(25-32-27-54-34-16-8-7-14-33(32)34)59-44(65)37(18-11-22-53-48(50)51)57-45(66)38(58-47(40)68)24-29-19-20-30-12-5-6-13-31(30)23-29/h5-8,12-14,16,19-20,23,27,35-40,54H,3-4,9-11,15,17-18,21-22,24-26H2,1-2H3,(H2,49,63)(H,52,62)(H,55,61)(H,56,67)(H,57,66)(H,58,68)(H,59,65)(H,60,64)(H4,50,51,53)/t35-,36+,37+,38+,39-,40+/m1/s1 | PDB
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105889
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C39H48N10O6/c40-35(52)29-11-5-17-43-33(50)15-16-34(51)46-31(20-23-13-14-24-7-1-2-8-25(24)19-23)37(54)48-30(12-6-18-44-39(41)42)36(53)49-32(38(55)47-29)21-26-22-45-28-10-4-3-9-27(26)28/h1-4,7-10,13-14,19,22,29-32,45H,5-6,11-12,15-18,20-21H2,(H2,40,52)(H,43,50)(H,46,51)(H,47,55)(H,48,54)(H,49,53)(H4,41,42,44)/t29-,30+,31+,32-/m1/s1 | PDB
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| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105883
(3-[25-Acetylamino-4-carbamoyl-13-(3-guanidino-prop...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C51H63N15O11S2/c1-27(67)60-41-25-79-78-24-40(44(52)71)61-42(68)23-58-45(72)38(19-31-21-57-34-10-5-4-9-33(31)34)65-46(73)35(11-6-16-56-51(53)54)62-48(75)37(18-28-12-13-29-7-2-3-8-30(29)17-28)64-49(76)39(20-32-22-55-26-59-32)66-47(74)36(63-50(41)77)14-15-43(69)70/h2-5,7-10,12-13,17,21-22,26,35-41,57H,6,11,14-16,18-20,23-25H2,1H3,(H2,52,71)(H,55,59)(H,58,72)(H,60,67)(H,61,68)(H,62,75)(H,63,77)(H,64,76)(H,65,73)(H,66,74)(H,69,70)(H4,53,54,56)/t35-,36+,37-,38+,39-,40-,41+/m0/s1 | PDB
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| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105888
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 Show InChI InChI=1S/C40H51N11O6/c41-40(42)45-19-7-13-30-36(54)50-33(22-27-23-46-29-11-4-3-10-28(27)29)38(56)49-31(39(57)51-43)12-5-6-18-44-34(52)16-17-35(53)47-32(37(55)48-30)21-24-14-15-25-8-1-2-9-26(25)20-24/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22,43H2,(H,44,52)(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,51,57)(H4,41,42,45)/t30-,31+,32-,33+/m0/s1 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105883
(3-[25-Acetylamino-4-carbamoyl-13-(3-guanidino-prop...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C51H63N15O11S2/c1-27(67)60-41-25-79-78-24-40(44(52)71)61-42(68)23-58-45(72)38(19-31-21-57-34-10-5-4-9-33(31)34)65-46(73)35(11-6-16-56-51(53)54)62-48(75)37(18-28-12-13-29-7-2-3-8-30(29)17-28)64-49(76)39(20-32-22-55-26-59-32)66-47(74)36(63-50(41)77)14-15-43(69)70/h2-5,7-10,12-13,17,21-22,26,35-41,57H,6,11,14-16,18-20,23-25H2,1H3,(H2,52,71)(H,55,59)(H,58,72)(H,60,67)(H,61,68)(H,62,75)(H,63,77)(H,64,76)(H,65,73)(H,66,74)(H,69,70)(H4,53,54,56)/t35-,36+,37-,38+,39-,40-,41+/m0/s1 | PDB
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| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105891
(13-Ethyl-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)Show SMILES CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O Show InChI InChI=1S/C42H54N10O6/c1-2-26-23-36(53)49-34(21-25-16-17-27-10-3-4-11-28(27)20-25)40(57)51-33(15-9-19-47-42(44)45)39(56)52-35(22-29-24-48-31-13-6-5-12-30(29)31)41(58)50-32(37(43)54)14-7-8-18-46-38(26)55/h3-6,10-13,16-17,20,24,26,32-35,48H,2,7-9,14-15,18-19,21-23H2,1H3,(H2,43,54)(H,46,55)(H,49,53)(H,50,58)(H,51,57)(H,52,56)(H4,44,45,47)/t26?,32-,33+,34+,35-/m1/s1 | PDB
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| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105891
(13-Ethyl-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)Show SMILES CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O Show InChI InChI=1S/C42H54N10O6/c1-2-26-23-36(53)49-34(21-25-16-17-27-10-3-4-11-28(27)20-25)40(57)51-33(15-9-19-47-42(44)45)39(56)52-35(22-29-24-48-31-13-6-5-12-30(29)31)41(58)50-32(37(43)54)14-7-8-18-46-38(26)55/h3-6,10-13,16-17,20,24,26,32-35,48H,2,7-9,14-15,18-19,21-23H2,1H3,(H2,43,54)(H,46,55)(H,49,53)(H,50,58)(H,51,57)(H,52,56)(H4,44,45,47)/t26?,32-,33+,34+,35-/m1/s1 | PDB
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| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105894
(16-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)49(74)69-45-27-46(71)64-44(26-36-29-58-30-62-36)53(78)67-42(24-32-19-20-33-12-5-6-13-34(33)23-32)51(76)66-41(18-11-22-60-54(56)57)50(75)68-43(25-35-28-61-38-16-8-7-14-37(35)38)52(77)65-39(47(55)72)17-9-10-21-59-48(45)73/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,73)(H,63,70)(H,64,71)(H,65,77)(H,66,76)(H,67,78)(H,68,75)(H,69,74)(H4,56,57,60)/t39-,40+,41+,42-,43-,44+,45-/m1/s1 | PDB
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PC sid
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| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105895
(6-(3-Guanidino-propyl)-12-(3H-imidazol-4-ylmethyl)...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C46H57N13O7/c47-41(62)34-12-5-6-18-51-39(60)16-17-40(61)55-38(23-31-25-50-26-54-31)45(66)58-36(21-27-14-15-28-8-1-2-9-29(28)20-27)43(64)57-35(13-7-19-52-46(48)49)42(63)59-37(44(65)56-34)22-30-24-53-33-11-4-3-10-32(30)33/h1-4,8-11,14-15,20,24-26,34-38,53H,5-7,12-13,16-19,21-23H2,(H2,47,62)(H,50,54)(H,51,60)(H,55,61)(H,56,65)(H,57,64)(H,58,66)(H,59,63)(H4,48,49,52)/t34-,35+,36+,37-,38+/m1/s1 | PDB
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| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105880
(15-Acetylamino-6-(3-guanidino-propyl)-12-(3H-imida...)Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C48H60N14O8/c1-27(63)57-40-23-41(64)53-17-7-6-13-35(42(49)65)58-45(68)38(21-31-24-55-34-12-5-4-11-33(31)34)61-43(66)36(14-8-18-54-48(50)51)59-44(67)37(20-28-15-16-29-9-2-3-10-30(29)19-28)60-46(69)39(62-47(40)70)22-32-25-52-26-56-32/h2-5,9-12,15-16,19,24-26,35-40,55H,6-8,13-14,17-18,20-23H2,1H3,(H2,49,65)(H,52,56)(H,53,64)(H,57,63)(H,58,68)(H,59,67)(H,60,69)(H,61,66)(H,62,70)(H4,50,51,54)/t35-,36+,37-,38-,39+,40+/m1/s1 | PDB
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| 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105887
(CHEMBL2370553 | Cyclo Ac-Cys-Glu-His-D-(2')Nal-Arg...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O |wU:82.89,89.97,4.3,57.61,42.44,101.109,31.33,wD:9.81,92.105,17.17,67.72,(.52,-47.48,;1.54,-48.63,;1.05,-50.09,;3.04,-48.33,;3.52,-46.86,;5.04,-47.18,;6.57,-47.12,;8.06,-46.67,;9.39,-45.91,;10.5,-44.85,;11.33,-43.55,;11.81,-42.09,;13.33,-42.39,;11.93,-40.55,;11.7,-39.03,;11.09,-37.61,;12.42,-36.84,;10.16,-36.38,;11.28,-35.31,;12.75,-35.73,;13.97,-34.79,;15.24,-35.66,;14.82,-37.14,;15.63,-38.45,;14.9,-39.8,;13.35,-39.85,;12.55,-38.55,;13.27,-37.19,;8.97,-35.4,;7.58,-34.74,;8.06,-33.28,;6.06,-34.43,;6.19,-32.89,;7.58,-32.24,;7.71,-30.7,;9.11,-30.04,;9.23,-28.5,;10.62,-27.84,;7.95,-27.63,;4.53,-34.5,;3.05,-34.91,;2.45,-33.51,;1.71,-35.7,;.79,-34.46,;.78,-32.93,;2.1,-32.14,;2.1,-30.61,;.75,-29.86,;.73,-28.32,;-.61,-27.57,;-1.93,-28.36,;-1.91,-29.88,;-.57,-30.65,;-.55,-32.17,;.61,-36.75,;-.23,-38.06,;-1.62,-37.41,;-.71,-39.53,;-2.23,-39.22,;-2.7,-37.76,;-1.81,-36.5,;-2.72,-35.26,;-4.18,-35.75,;-4.18,-37.29,;-.83,-41.06,;-.58,-42.58,;-2.06,-43.01,;.02,-44,;-1.32,-44.76,;-2.65,-44,;-3.98,-44.76,;-5.32,-44,;-3.98,-46.3,;.94,-45.23,;2.14,-46.21,;1.31,-47.5,;11.7,-45.81,;11.44,-47.34,;13.14,-45.28,;13.05,-43.74,;14.49,-43.2,;15.45,-44.39,;14.62,-45.67,;15.17,-47.12,;14.2,-48.3,;16.7,-47.35,;16.61,-45.81,;18.05,-45.25,;19.01,-46.46,;18.17,-47.75,;18.94,-49.07,;18.16,-50.4,;20.48,-49.07,;21.25,-47.75,;20.48,-46.41,;21.25,-45.08,;20.48,-43.74,;21.26,-42.41,;21.24,-50.4,;22.77,-50.4,;23.55,-49.07,;23.54,-51.74,;25.08,-51.75,;22.76,-53.05,;23.53,-54.41,;22.76,-55.73,;25.06,-54.41,)| Show InChI InChI=1S/C70H93N19O16S2/c1-38(90)80-53-35-106-107-36-54(68(104)89-26-10-18-56(89)69(105)88-25-9-17-55(88)60(96)47(15-6-7-23-71)82-61(97)45(72)31-59(94)95)81-57(91)34-78-62(98)51(29-42-32-77-46-14-5-4-13-44(42)46)86-63(99)48(16-8-24-76-70(73)74)83-65(101)50(28-39-19-20-40-11-2-3-12-41(40)27-39)85-66(102)52(30-43-33-75-37-79-43)87-64(100)49(84-67(53)103)21-22-58(92)93/h2-5,11-14,19-20,27,32-33,37,45,47-56,77H,6-10,15-18,21-26,28-31,34-36,71-72H2,1H3,(H,75,79)(H,78,98)(H,80,90)(H,81,91)(H,82,97)(H,83,101)(H,84,103)(H,85,102)(H,86,99)(H,87,100)(H,92,93)(H,94,95)(H4,73,74,76)/t45?,47?,48-,49+,50-,51+,52-,53+,54-,55?,56?/m0/s1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105876
(15-Amino-6-(3-guanidino-propyl)-12-(3H-imidazol-4-...)Show SMILES N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C46H58N14O7/c47-32-22-39(61)52-16-6-5-12-34(40(48)62)56-44(66)37(20-29-23-54-33-11-4-3-10-31(29)33)60-42(64)35(13-7-17-53-46(49)50)57-43(65)36(19-26-14-15-27-8-1-2-9-28(27)18-26)59-45(67)38(58-41(32)63)21-30-24-51-25-55-30/h1-4,8-11,14-15,18,23-25,32,34-38,54H,5-7,12-13,16-17,19-22,47H2,(H2,48,62)(H,51,55)(H,52,61)(H,56,66)(H,57,65)(H,58,63)(H,59,67)(H,60,64)(H4,49,50,53)/t32-,34+,35-,36-,37+,38-/m0/s1 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105882
(CHEMBL2370533 | Cyclo Ac-Cys-Glu-His-D-Phe-(3,4-di...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O |wU:80.86,87.94,4.3,55.58,42.44,99.106,31.33,wD:9.78,90.102,17.17,65.69,(.52,-47.47,;1.54,-48.61,;1.05,-50.07,;3.03,-48.31,;3.52,-46.84,;5.04,-47.16,;6.57,-47.1,;8.05,-46.66,;9.39,-45.89,;10.5,-44.84,;11.32,-43.53,;11.81,-42.07,;13.32,-42.38,;11.93,-40.54,;11.69,-39.02,;11.09,-37.6,;12.42,-36.83,;10.16,-36.37,;11.27,-35.3,;12.74,-35.72,;13.97,-34.78,;15.23,-35.65,;14.81,-37.13,;15.63,-38.43,;14.9,-39.79,;13.35,-39.84,;12.55,-38.53,;13.27,-37.18,;8.97,-35.39,;7.57,-34.73,;8.06,-33.27,;6.06,-34.41,;6.19,-32.88,;7.57,-32.23,;7.71,-30.69,;9.1,-30.03,;9.23,-28.49,;10.62,-27.83,;7.95,-27.62,;4.52,-34.48,;3.05,-34.9,;2.45,-33.5,;1.71,-35.69,;.79,-34.45,;.78,-32.92,;2.1,-32.13,;2.1,-30.6,;.75,-29.85,;.73,-28.31,;-.57,-30.63,;-1.91,-29.87,;-.55,-32.16,;.61,-36.74,;-.22,-38.05,;-1.62,-37.39,;-.71,-39.51,;-2.23,-39.21,;-2.7,-37.74,;-1.81,-36.49,;-2.72,-35.25,;-4.18,-35.74,;-4.18,-37.28,;-.83,-41.05,;-.58,-42.56,;-2.06,-43,;.02,-43.98,;-1.32,-44.75,;-2.65,-43.98,;-3.98,-44.75,;-5.32,-43.98,;-3.98,-46.29,;.94,-45.22,;2.14,-46.19,;1.31,-47.49,;11.69,-45.8,;11.44,-47.33,;13.14,-45.26,;13.04,-43.73,;14.49,-43.18,;15.44,-44.38,;14.62,-45.66,;15.16,-47.1,;14.2,-48.29,;16.69,-47.33,;16.61,-45.8,;18.04,-45.24,;19,-46.44,;18.17,-47.73,;18.93,-49.06,;18.16,-50.38,;20.47,-49.06,;21.24,-47.73,;20.47,-46.39,;21.24,-45.07,;20.47,-43.73,;21.25,-42.4,;21.23,-50.38,;22.77,-50.38,;23.54,-49.06,;23.53,-51.73,;25.07,-51.73,;22.75,-53.04,;23.52,-54.39,;22.75,-55.71,;25.06,-54.39,)| Show InChI InChI=1S/C66H89Cl2N19O16S2/c1-34(88)78-49-31-104-105-32-50(64(102)87-22-8-14-52(87)65(103)86-21-7-13-51(86)56(94)43(11-4-5-19-69)80-57(95)41(70)27-55(92)93)79-53(89)30-76-58(96)47(25-36-28-75-42-10-3-2-9-38(36)42)84-59(97)44(12-6-20-74-66(71)72)81-61(99)46(24-35-15-16-39(67)40(68)23-35)83-62(100)48(26-37-29-73-33-77-37)85-60(98)45(82-63(49)101)17-18-54(90)91/h2-3,9-10,15-16,23,28-29,33,41,43-52,75H,4-8,11-14,17-22,24-27,30-32,69-70H2,1H3,(H,73,77)(H,76,96)(H,78,88)(H,79,89)(H,80,95)(H,81,99)(H,82,101)(H,83,100)(H,84,97)(H,85,98)(H,90,91)(H,92,93)(H4,71,72,74)/t41?,43?,44-,45+,46-,47+,48-,49+,50-,51?,52?/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105882
(CHEMBL2370533 | Cyclo Ac-Cys-Glu-His-D-Phe-(3,4-di...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O |wU:80.86,87.94,4.3,55.58,42.44,99.106,31.33,wD:9.78,90.102,17.17,65.69,(.52,-47.47,;1.54,-48.61,;1.05,-50.07,;3.03,-48.31,;3.52,-46.84,;5.04,-47.16,;6.57,-47.1,;8.05,-46.66,;9.39,-45.89,;10.5,-44.84,;11.32,-43.53,;11.81,-42.07,;13.32,-42.38,;11.93,-40.54,;11.69,-39.02,;11.09,-37.6,;12.42,-36.83,;10.16,-36.37,;11.27,-35.3,;12.74,-35.72,;13.97,-34.78,;15.23,-35.65,;14.81,-37.13,;15.63,-38.43,;14.9,-39.79,;13.35,-39.84,;12.55,-38.53,;13.27,-37.18,;8.97,-35.39,;7.57,-34.73,;8.06,-33.27,;6.06,-34.41,;6.19,-32.88,;7.57,-32.23,;7.71,-30.69,;9.1,-30.03,;9.23,-28.49,;10.62,-27.83,;7.95,-27.62,;4.52,-34.48,;3.05,-34.9,;2.45,-33.5,;1.71,-35.69,;.79,-34.45,;.78,-32.92,;2.1,-32.13,;2.1,-30.6,;.75,-29.85,;.73,-28.31,;-.57,-30.63,;-1.91,-29.87,;-.55,-32.16,;.61,-36.74,;-.22,-38.05,;-1.62,-37.39,;-.71,-39.51,;-2.23,-39.21,;-2.7,-37.74,;-1.81,-36.49,;-2.72,-35.25,;-4.18,-35.74,;-4.18,-37.28,;-.83,-41.05,;-.58,-42.56,;-2.06,-43,;.02,-43.98,;-1.32,-44.75,;-2.65,-43.98,;-3.98,-44.75,;-5.32,-43.98,;-3.98,-46.29,;.94,-45.22,;2.14,-46.19,;1.31,-47.49,;11.69,-45.8,;11.44,-47.33,;13.14,-45.26,;13.04,-43.73,;14.49,-43.18,;15.44,-44.38,;14.62,-45.66,;15.16,-47.1,;14.2,-48.29,;16.69,-47.33,;16.61,-45.8,;18.04,-45.24,;19,-46.44,;18.17,-47.73,;18.93,-49.06,;18.16,-50.38,;20.47,-49.06,;21.24,-47.73,;20.47,-46.39,;21.24,-45.07,;20.47,-43.73,;21.25,-42.4,;21.23,-50.38,;22.77,-50.38,;23.54,-49.06,;23.53,-51.73,;25.07,-51.73,;22.75,-53.04,;23.52,-54.39,;22.75,-55.71,;25.06,-54.39,)| Show InChI InChI=1S/C66H89Cl2N19O16S2/c1-34(88)78-49-31-104-105-32-50(64(102)87-22-8-14-52(87)65(103)86-21-7-13-51(86)56(94)43(11-4-5-19-69)80-57(95)41(70)27-55(92)93)79-53(89)30-76-58(96)47(25-36-28-75-42-10-3-2-9-38(36)42)84-59(97)44(12-6-20-74-66(71)72)81-61(99)46(24-35-15-16-39(67)40(68)23-35)83-62(100)48(26-37-29-73-33-77-37)85-60(98)45(82-63(49)101)17-18-54(90)91/h2-3,9-10,15-16,23,28-29,33,41,43-52,75H,4-8,11-14,17-22,24-27,30-32,69-70H2,1H3,(H,73,77)(H,76,96)(H,78,88)(H,79,89)(H,80,95)(H,81,99)(H,82,101)(H,83,100)(H,84,97)(H,85,98)(H,90,91)(H,92,93)(H4,71,72,74)/t41?,43?,44-,45+,46-,47+,48-,49+,50-,51?,52?/m0/s1 | PDB
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Similars
| PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105883
(3-[25-Acetylamino-4-carbamoyl-13-(3-guanidino-prop...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C51H63N15O11S2/c1-27(67)60-41-25-79-78-24-40(44(52)71)61-42(68)23-58-45(72)38(19-31-21-57-34-10-5-4-9-33(31)34)65-46(73)35(11-6-16-56-51(53)54)62-48(75)37(18-28-12-13-29-7-2-3-8-30(29)17-28)64-49(76)39(20-32-22-55-26-59-32)66-47(74)36(63-50(41)77)14-15-43(69)70/h2-5,7-10,12-13,17,21-22,26,35-41,57H,6,11,14-16,18-20,23-25H2,1H3,(H2,52,71)(H,55,59)(H,58,72)(H,60,67)(H,61,68)(H,62,75)(H,63,77)(H,64,76)(H,65,73)(H,66,74)(H,69,70)(H4,53,54,56)/t35-,36+,37-,38+,39-,40-,41+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105890
(12-Amino-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)Show SMILES N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C40H51N11O6/c41-28-21-34(52)45-16-6-5-12-30(35(42)53)48-39(57)33(20-26-22-47-29-11-4-3-10-27(26)29)51-37(55)31(13-7-17-46-40(43)44)49-38(56)32(50-36(28)54)19-23-14-15-24-8-1-2-9-25(24)18-23/h1-4,8-11,14-15,18,22,28,30-33,47H,5-7,12-13,16-17,19-21,41H2,(H2,42,53)(H,45,52)(H,48,57)(H,49,56)(H,50,54)(H,51,55)(H4,43,44,46)/t28-,30+,31-,32-,33+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
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Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105880
(15-Acetylamino-6-(3-guanidino-propyl)-12-(3H-imida...)Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C48H60N14O8/c1-27(63)57-40-23-41(64)53-17-7-6-13-35(42(49)65)58-45(68)38(21-31-24-55-34-12-5-4-11-33(31)34)61-43(66)36(14-8-18-54-48(50)51)59-44(67)37(20-28-15-16-29-9-2-3-10-30(29)19-28)60-46(69)39(62-47(40)70)22-32-25-52-26-56-32/h2-5,9-12,15-16,19,24-26,35-40,55H,6-8,13-14,17-18,20-23H2,1H3,(H2,49,65)(H,52,56)(H,53,64)(H,57,63)(H,58,68)(H,59,67)(H,60,69)(H,61,66)(H,62,70)(H4,50,51,54)/t35-,36+,37-,38-,39+,40+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105877
(12-Acetylamino-6-(3-guanidino-propyl)-3-(1H-indol-...)Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C42H53N11O7/c1-24(54)49-35-22-36(55)46-17-7-6-13-31(37(43)56)50-40(59)34(21-28-23-48-30-12-5-4-11-29(28)30)53-38(57)32(14-8-18-47-42(44)45)51-39(58)33(52-41(35)60)20-25-15-16-26-9-2-3-10-27(26)19-25/h2-5,9-12,15-16,19,23,31-35,48H,6-8,13-14,17-18,20-22H2,1H3,(H2,43,56)(H,46,55)(H,49,54)(H,50,59)(H,51,58)(H,52,60)(H,53,57)(H4,44,45,47)/t31-,32+,33+,34-,35+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105876
(15-Amino-6-(3-guanidino-propyl)-12-(3H-imidazol-4-...)Show SMILES N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C46H58N14O7/c47-32-22-39(61)52-16-6-5-12-34(40(48)62)56-44(66)37(20-29-23-54-33-11-4-3-10-31(29)33)60-42(64)35(13-7-17-53-46(49)50)57-43(65)36(19-26-14-15-27-8-1-2-9-28(27)18-26)59-45(67)38(58-41(32)63)21-30-24-51-25-55-30/h1-4,8-11,14-15,18,23-25,32,34-38,54H,5-7,12-13,16-17,19-22,47H2,(H2,48,62)(H,51,55)(H,52,61)(H,56,66)(H,57,65)(H,58,63)(H,59,67)(H,60,64)(H4,49,50,53)/t32-,34+,35-,36-,37+,38-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105887
(CHEMBL2370553 | Cyclo Ac-Cys-Glu-His-D-(2')Nal-Arg...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O |wU:82.89,89.97,4.3,57.61,42.44,101.109,31.33,wD:9.81,92.105,17.17,67.72,(.52,-47.48,;1.54,-48.63,;1.05,-50.09,;3.04,-48.33,;3.52,-46.86,;5.04,-47.18,;6.57,-47.12,;8.06,-46.67,;9.39,-45.91,;10.5,-44.85,;11.33,-43.55,;11.81,-42.09,;13.33,-42.39,;11.93,-40.55,;11.7,-39.03,;11.09,-37.61,;12.42,-36.84,;10.16,-36.38,;11.28,-35.31,;12.75,-35.73,;13.97,-34.79,;15.24,-35.66,;14.82,-37.14,;15.63,-38.45,;14.9,-39.8,;13.35,-39.85,;12.55,-38.55,;13.27,-37.19,;8.97,-35.4,;7.58,-34.74,;8.06,-33.28,;6.06,-34.43,;6.19,-32.89,;7.58,-32.24,;7.71,-30.7,;9.11,-30.04,;9.23,-28.5,;10.62,-27.84,;7.95,-27.63,;4.53,-34.5,;3.05,-34.91,;2.45,-33.51,;1.71,-35.7,;.79,-34.46,;.78,-32.93,;2.1,-32.14,;2.1,-30.61,;.75,-29.86,;.73,-28.32,;-.61,-27.57,;-1.93,-28.36,;-1.91,-29.88,;-.57,-30.65,;-.55,-32.17,;.61,-36.75,;-.23,-38.06,;-1.62,-37.41,;-.71,-39.53,;-2.23,-39.22,;-2.7,-37.76,;-1.81,-36.5,;-2.72,-35.26,;-4.18,-35.75,;-4.18,-37.29,;-.83,-41.06,;-.58,-42.58,;-2.06,-43.01,;.02,-44,;-1.32,-44.76,;-2.65,-44,;-3.98,-44.76,;-5.32,-44,;-3.98,-46.3,;.94,-45.23,;2.14,-46.21,;1.31,-47.5,;11.7,-45.81,;11.44,-47.34,;13.14,-45.28,;13.05,-43.74,;14.49,-43.2,;15.45,-44.39,;14.62,-45.67,;15.17,-47.12,;14.2,-48.3,;16.7,-47.35,;16.61,-45.81,;18.05,-45.25,;19.01,-46.46,;18.17,-47.75,;18.94,-49.07,;18.16,-50.4,;20.48,-49.07,;21.25,-47.75,;20.48,-46.41,;21.25,-45.08,;20.48,-43.74,;21.26,-42.41,;21.24,-50.4,;22.77,-50.4,;23.55,-49.07,;23.54,-51.74,;25.08,-51.75,;22.76,-53.05,;23.53,-54.41,;22.76,-55.73,;25.06,-54.41,)| Show InChI InChI=1S/C70H93N19O16S2/c1-38(90)80-53-35-106-107-36-54(68(104)89-26-10-18-56(89)69(105)88-25-9-17-55(88)60(96)47(15-6-7-23-71)82-61(97)45(72)31-59(94)95)81-57(91)34-78-62(98)51(29-42-32-77-46-14-5-4-13-44(42)46)86-63(99)48(16-8-24-76-70(73)74)83-65(101)50(28-39-19-20-40-11-2-3-12-41(40)27-39)85-66(102)52(30-43-33-75-37-79-43)87-64(100)49(84-67(53)103)21-22-58(92)93/h2-5,11-14,19-20,27,32-33,37,45,47-56,77H,6-10,15-18,21-26,28-31,34-36,71-72H2,1H3,(H,75,79)(H,78,98)(H,80,90)(H,81,91)(H,82,97)(H,83,101)(H,84,103)(H,85,102)(H,86,99)(H,87,100)(H,92,93)(H,94,95)(H4,73,74,76)/t45?,47?,48-,49+,50-,51+,52-,53+,54-,55?,56?/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105876
(15-Amino-6-(3-guanidino-propyl)-12-(3H-imidazol-4-...)Show SMILES N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C46H58N14O7/c47-32-22-39(61)52-16-6-5-12-34(40(48)62)56-44(66)37(20-29-23-54-33-11-4-3-10-31(29)33)60-42(64)35(13-7-17-53-46(49)50)57-43(65)36(19-26-14-15-27-8-1-2-9-28(27)18-26)59-45(67)38(58-41(32)63)21-30-24-51-25-55-30/h1-4,8-11,14-15,18,23-25,32,34-38,54H,5-7,12-13,16-17,19-22,47H2,(H2,48,62)(H,51,55)(H,52,61)(H,56,66)(H,57,65)(H,58,63)(H,59,67)(H,60,64)(H4,49,50,53)/t32-,34+,35-,36-,37+,38-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105892
(12-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C48H64N12O8/c1-3-4-15-36(55-28(2)61)43(64)60-40-26-41(62)52-21-10-9-17-35(42(49)63)56-46(67)39(25-32-27-54-34-16-8-7-14-33(32)34)59-44(65)37(18-11-22-53-48(50)51)57-45(66)38(58-47(40)68)24-29-19-20-30-12-5-6-13-31(30)23-29/h5-8,12-14,16,19-20,23,27,35-40,54H,3-4,9-11,15,17-18,21-22,24-26H2,1-2H3,(H2,49,63)(H,52,62)(H,55,61)(H,56,67)(H,57,66)(H,58,68)(H,59,65)(H,60,64)(H4,50,51,53)/t35-,36+,37+,38+,39-,40+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105892
(12-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C48H64N12O8/c1-3-4-15-36(55-28(2)61)43(64)60-40-26-41(62)52-21-10-9-17-35(42(49)63)56-46(67)39(25-32-27-54-34-16-8-7-14-33(32)34)59-44(65)37(18-11-22-53-48(50)51)57-45(66)38(58-47(40)68)24-29-19-20-30-12-5-6-13-31(30)23-29/h5-8,12-14,16,19-20,23,27,35-40,54H,3-4,9-11,15,17-18,21-22,24-26H2,1-2H3,(H2,49,63)(H,52,62)(H,55,61)(H,56,67)(H,57,66)(H,58,68)(H,59,65)(H,60,64)(H4,50,51,53)/t35-,36+,37+,38+,39-,40+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105882
(CHEMBL2370533 | Cyclo Ac-Cys-Glu-His-D-Phe-(3,4-di...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O |wU:80.86,87.94,4.3,55.58,42.44,99.106,31.33,wD:9.78,90.102,17.17,65.69,(.52,-47.47,;1.54,-48.61,;1.05,-50.07,;3.03,-48.31,;3.52,-46.84,;5.04,-47.16,;6.57,-47.1,;8.05,-46.66,;9.39,-45.89,;10.5,-44.84,;11.32,-43.53,;11.81,-42.07,;13.32,-42.38,;11.93,-40.54,;11.69,-39.02,;11.09,-37.6,;12.42,-36.83,;10.16,-36.37,;11.27,-35.3,;12.74,-35.72,;13.97,-34.78,;15.23,-35.65,;14.81,-37.13,;15.63,-38.43,;14.9,-39.79,;13.35,-39.84,;12.55,-38.53,;13.27,-37.18,;8.97,-35.39,;7.57,-34.73,;8.06,-33.27,;6.06,-34.41,;6.19,-32.88,;7.57,-32.23,;7.71,-30.69,;9.1,-30.03,;9.23,-28.49,;10.62,-27.83,;7.95,-27.62,;4.52,-34.48,;3.05,-34.9,;2.45,-33.5,;1.71,-35.69,;.79,-34.45,;.78,-32.92,;2.1,-32.13,;2.1,-30.6,;.75,-29.85,;.73,-28.31,;-.57,-30.63,;-1.91,-29.87,;-.55,-32.16,;.61,-36.74,;-.22,-38.05,;-1.62,-37.39,;-.71,-39.51,;-2.23,-39.21,;-2.7,-37.74,;-1.81,-36.49,;-2.72,-35.25,;-4.18,-35.74,;-4.18,-37.28,;-.83,-41.05,;-.58,-42.56,;-2.06,-43,;.02,-43.98,;-1.32,-44.75,;-2.65,-43.98,;-3.98,-44.75,;-5.32,-43.98,;-3.98,-46.29,;.94,-45.22,;2.14,-46.19,;1.31,-47.49,;11.69,-45.8,;11.44,-47.33,;13.14,-45.26,;13.04,-43.73,;14.49,-43.18,;15.44,-44.38,;14.62,-45.66,;15.16,-47.1,;14.2,-48.29,;16.69,-47.33,;16.61,-45.8,;18.04,-45.24,;19,-46.44,;18.17,-47.73,;18.93,-49.06,;18.16,-50.38,;20.47,-49.06,;21.24,-47.73,;20.47,-46.39,;21.24,-45.07,;20.47,-43.73,;21.25,-42.4,;21.23,-50.38,;22.77,-50.38,;23.54,-49.06,;23.53,-51.73,;25.07,-51.73,;22.75,-53.04,;23.52,-54.39,;22.75,-55.71,;25.06,-54.39,)| Show InChI InChI=1S/C66H89Cl2N19O16S2/c1-34(88)78-49-31-104-105-32-50(64(102)87-22-8-14-52(87)65(103)86-21-7-13-51(86)56(94)43(11-4-5-19-69)80-57(95)41(70)27-55(92)93)79-53(89)30-76-58(96)47(25-36-28-75-42-10-3-2-9-38(36)42)84-59(97)44(12-6-20-74-66(71)72)81-61(99)46(24-35-15-16-39(67)40(68)23-35)83-62(100)48(26-37-29-73-33-77-37)85-60(98)45(82-63(49)101)17-18-54(90)91/h2-3,9-10,15-16,23,28-29,33,41,43-52,75H,4-8,11-14,17-22,24-27,30-32,69-70H2,1H3,(H,73,77)(H,76,96)(H,78,88)(H,79,89)(H,80,95)(H,81,99)(H,82,101)(H,83,100)(H,84,97)(H,85,98)(H,90,91)(H,92,93)(H4,71,72,74)/t41?,43?,44-,45+,46-,47+,48-,49+,50-,51?,52?/m0/s1 | PDB
UniProtKB/SwissProt
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50033134
((3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41+,42-,43-,44+,45+/m1/s1 | PDB
KEGG
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105890
(12-Amino-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)Show SMILES N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C40H51N11O6/c41-28-21-34(52)45-16-6-5-12-30(35(42)53)48-39(57)33(20-26-22-47-29-11-4-3-10-27(26)29)51-37(55)31(13-7-17-46-40(43)44)49-38(56)32(50-36(28)54)19-23-14-15-24-8-1-2-9-25(24)18-23/h1-4,8-11,14-15,18,22,28,30-33,47H,5-7,12-13,16-17,19-21,41H2,(H2,42,53)(H,45,52)(H,48,57)(H,49,56)(H,50,54)(H,51,55)(H4,43,44,46)/t28-,30+,31-,32-,33+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105887
(CHEMBL2370553 | Cyclo Ac-Cys-Glu-His-D-(2')Nal-Arg...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O |wU:82.89,89.97,4.3,57.61,42.44,101.109,31.33,wD:9.81,92.105,17.17,67.72,(.52,-47.48,;1.54,-48.63,;1.05,-50.09,;3.04,-48.33,;3.52,-46.86,;5.04,-47.18,;6.57,-47.12,;8.06,-46.67,;9.39,-45.91,;10.5,-44.85,;11.33,-43.55,;11.81,-42.09,;13.33,-42.39,;11.93,-40.55,;11.7,-39.03,;11.09,-37.61,;12.42,-36.84,;10.16,-36.38,;11.28,-35.31,;12.75,-35.73,;13.97,-34.79,;15.24,-35.66,;14.82,-37.14,;15.63,-38.45,;14.9,-39.8,;13.35,-39.85,;12.55,-38.55,;13.27,-37.19,;8.97,-35.4,;7.58,-34.74,;8.06,-33.28,;6.06,-34.43,;6.19,-32.89,;7.58,-32.24,;7.71,-30.7,;9.11,-30.04,;9.23,-28.5,;10.62,-27.84,;7.95,-27.63,;4.53,-34.5,;3.05,-34.91,;2.45,-33.51,;1.71,-35.7,;.79,-34.46,;.78,-32.93,;2.1,-32.14,;2.1,-30.61,;.75,-29.86,;.73,-28.32,;-.61,-27.57,;-1.93,-28.36,;-1.91,-29.88,;-.57,-30.65,;-.55,-32.17,;.61,-36.75,;-.23,-38.06,;-1.62,-37.41,;-.71,-39.53,;-2.23,-39.22,;-2.7,-37.76,;-1.81,-36.5,;-2.72,-35.26,;-4.18,-35.75,;-4.18,-37.29,;-.83,-41.06,;-.58,-42.58,;-2.06,-43.01,;.02,-44,;-1.32,-44.76,;-2.65,-44,;-3.98,-44.76,;-5.32,-44,;-3.98,-46.3,;.94,-45.23,;2.14,-46.21,;1.31,-47.5,;11.7,-45.81,;11.44,-47.34,;13.14,-45.28,;13.05,-43.74,;14.49,-43.2,;15.45,-44.39,;14.62,-45.67,;15.17,-47.12,;14.2,-48.3,;16.7,-47.35,;16.61,-45.81,;18.05,-45.25,;19.01,-46.46,;18.17,-47.75,;18.94,-49.07,;18.16,-50.4,;20.48,-49.07,;21.25,-47.75,;20.48,-46.41,;21.25,-45.08,;20.48,-43.74,;21.26,-42.41,;21.24,-50.4,;22.77,-50.4,;23.55,-49.07,;23.54,-51.74,;25.08,-51.75,;22.76,-53.05,;23.53,-54.41,;22.76,-55.73,;25.06,-54.41,)| Show InChI InChI=1S/C70H93N19O16S2/c1-38(90)80-53-35-106-107-36-54(68(104)89-26-10-18-56(89)69(105)88-25-9-17-55(88)60(96)47(15-6-7-23-71)82-61(97)45(72)31-59(94)95)81-57(91)34-78-62(98)51(29-42-32-77-46-14-5-4-13-44(42)46)86-63(99)48(16-8-24-76-70(73)74)83-65(101)50(28-39-19-20-40-11-2-3-12-41(40)27-39)85-66(102)52(30-43-33-75-37-79-43)87-64(100)49(84-67(53)103)21-22-58(92)93/h2-5,11-14,19-20,27,32-33,37,45,47-56,77H,6-10,15-18,21-26,28-31,34-36,71-72H2,1H3,(H,75,79)(H,78,98)(H,80,90)(H,81,91)(H,82,97)(H,83,101)(H,84,103)(H,85,102)(H,86,99)(H,87,100)(H,92,93)(H,94,95)(H4,73,74,76)/t45?,47?,48-,49+,50-,51+,52-,53+,54-,55?,56?/m0/s1 | PDB
UniProtKB/SwissProt
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50033134
((3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41+,42-,43-,44+,45+/m1/s1 | PDB
UniProtKB/SwissProt
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105894
(16-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)49(74)69-45-27-46(71)64-44(26-36-29-58-30-62-36)53(78)67-42(24-32-19-20-33-12-5-6-13-34(33)23-32)51(76)66-41(18-11-22-60-54(56)57)50(75)68-43(25-35-28-61-38-16-8-7-14-37(35)38)52(77)65-39(47(55)72)17-9-10-21-59-48(45)73/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,73)(H,63,70)(H,64,71)(H,65,77)(H,66,76)(H,67,78)(H,68,75)(H,69,74)(H4,56,57,60)/t39-,40+,41+,42-,43-,44+,45-/m1/s1 | PDB
UniProtKB/SwissProt
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Similars
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105894
(16-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)49(74)69-45-27-46(71)64-44(26-36-29-58-30-62-36)53(78)67-42(24-32-19-20-33-12-5-6-13-34(33)23-32)51(76)66-41(18-11-22-60-54(56)57)50(75)68-43(25-35-28-61-38-16-8-7-14-37(35)38)52(77)65-39(47(55)72)17-9-10-21-59-48(45)73/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,73)(H,63,70)(H,64,71)(H,65,77)(H,66,76)(H,67,78)(H,68,75)(H,69,74)(H4,56,57,60)/t39-,40+,41+,42-,43-,44+,45-/m1/s1 | PDB
UniProtKB/SwissProt
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Similars
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105893
(9-(3-Guanidino-propyl)-15-(3H-imidazol-4-ylmethyl)...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C43H51N13O7/c44-38(59)35-22-50-36(57)13-14-37(58)52-34(19-28-21-47-23-51-28)42(63)54-32(17-24-11-12-25-6-1-2-7-26(25)16-24)40(61)53-31(10-5-15-48-43(45)46)39(60)55-33(41(62)56-35)18-27-20-49-30-9-4-3-8-29(27)30/h1-4,6-9,11-12,16,20-21,23,31-35,49H,5,10,13-15,17-19,22H2,(H2,44,59)(H,47,51)(H,50,57)(H,52,58)(H,53,61)(H,54,63)(H,55,60)(H,56,62)(H4,45,46,48)/t31-,32-,33+,34-,35?/m0/s1 | PDB
UniProtKB/SwissProt
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UniChem
Similars
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105895
(6-(3-Guanidino-propyl)-12-(3H-imidazol-4-ylmethyl)...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C46H57N13O7/c47-41(62)34-12-5-6-18-51-39(60)16-17-40(61)55-38(23-31-25-50-26-54-31)45(66)58-36(21-27-14-15-28-8-1-2-9-29(28)20-27)43(64)57-35(13-7-19-52-46(48)49)42(63)59-37(44(65)56-34)22-30-24-53-33-11-4-3-10-32(30)33/h1-4,8-11,14-15,20,24-26,34-38,53H,5-7,12-13,16-19,21-23H2,(H2,47,62)(H,50,54)(H,51,60)(H,55,61)(H,56,65)(H,57,64)(H,58,66)(H,59,63)(H4,48,49,52)/t34-,35+,36+,37-,38+/m1/s1 | PDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105889
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C39H48N10O6/c40-35(52)29-11-5-17-43-33(50)15-16-34(51)46-31(20-23-13-14-24-7-1-2-8-25(24)19-23)37(54)48-30(12-6-18-44-39(41)42)36(53)49-32(38(55)47-29)21-26-22-45-28-10-4-3-9-27(26)28/h1-4,7-10,13-14,19,22,29-32,45H,5-6,11-12,15-18,20-21H2,(H2,40,52)(H,43,50)(H,46,51)(H,47,55)(H,48,54)(H,49,53)(H4,41,42,44)/t29-,30+,31+,32-/m1/s1 | PDB
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105886
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C38H46N10O6/c39-34(51)28-15-17-42-32(49)13-14-33(50)45-30(19-22-11-12-23-6-1-2-7-24(23)18-22)36(53)47-29(10-5-16-43-38(40)41)35(52)48-31(37(54)46-28)20-25-21-44-27-9-4-3-8-26(25)27/h1-4,6-9,11-12,18,21,28-31,44H,5,10,13-17,19-20H2,(H2,39,51)(H,42,49)(H,45,50)(H,46,54)(H,47,53)(H,48,52)(H4,40,41,43)/t28-,29+,30+,31-/m1/s1 | PDB
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105893
(9-(3-Guanidino-propyl)-15-(3H-imidazol-4-ylmethyl)...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C43H51N13O7/c44-38(59)35-22-50-36(57)13-14-37(58)52-34(19-28-21-47-23-51-28)42(63)54-32(17-24-11-12-25-6-1-2-7-26(25)16-24)40(61)53-31(10-5-15-48-43(45)46)39(60)55-33(41(62)56-35)18-27-20-49-30-9-4-3-8-29(27)30/h1-4,6-9,11-12,16,20-21,23,31-35,49H,5,10,13-15,17-19,22H2,(H2,44,59)(H,47,51)(H,50,57)(H,52,58)(H,53,61)(H,54,63)(H,55,60)(H,56,62)(H4,45,46,48)/t31-,32-,33+,34-,35?/m0/s1 | PDB
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| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105884
(9-(3-Guanidino-propyl)-6-(1H-indol-3-ylmethyl)-12-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C37H44N10O6/c38-33(50)30-20-43-31(48)13-14-32(49)44-28(17-21-11-12-22-6-1-2-7-23(22)16-21)35(52)45-27(10-5-15-41-37(39)40)34(51)46-29(36(53)47-30)18-24-19-42-26-9-4-3-8-25(24)26/h1-4,6-9,11-12,16,19,27-30,42H,5,10,13-15,17-18,20H2,(H2,38,50)(H,43,48)(H,44,49)(H,45,52)(H,46,51)(H,47,53)(H4,39,40,41)/t27-,28-,29+,30?/m0/s1 | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105891
(13-Ethyl-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)Show SMILES CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O Show InChI InChI=1S/C42H54N10O6/c1-2-26-23-36(53)49-34(21-25-16-17-27-10-3-4-11-28(27)20-25)40(57)51-33(15-9-19-47-42(44)45)39(56)52-35(22-29-24-48-31-13-6-5-12-30(29)31)41(58)50-32(37(43)54)14-7-8-18-46-38(26)55/h3-6,10-13,16-17,20,24,26,32-35,48H,2,7-9,14-15,18-19,21-23H2,1H3,(H2,43,54)(H,46,55)(H,49,53)(H,50,58)(H,51,57)(H,52,56)(H4,44,45,47)/t26?,32-,33+,34+,35-/m1/s1 | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105889
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C39H48N10O6/c40-35(52)29-11-5-17-43-33(50)15-16-34(51)46-31(20-23-13-14-24-7-1-2-8-25(24)19-23)37(54)48-30(12-6-18-44-39(41)42)36(53)49-32(38(55)47-29)21-26-22-45-28-10-4-3-9-27(26)28/h1-4,7-10,13-14,19,22,29-32,45H,5-6,11-12,15-18,20-21H2,(H2,40,52)(H,43,50)(H,46,51)(H,47,55)(H,48,54)(H,49,53)(H4,41,42,44)/t29-,30+,31+,32-/m1/s1 | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50033134
((3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41+,42-,43-,44+,45+/m1/s1 | PDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105891
(13-Ethyl-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)Show SMILES CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O Show InChI InChI=1S/C42H54N10O6/c1-2-26-23-36(53)49-34(21-25-16-17-27-10-3-4-11-28(27)20-25)40(57)51-33(15-9-19-47-42(44)45)39(56)52-35(22-29-24-48-31-13-6-5-12-30(29)31)41(58)50-32(37(43)54)14-7-8-18-46-38(26)55/h3-6,10-13,16-17,20,24,26,32-35,48H,2,7-9,14-15,18-19,21-23H2,1H3,(H2,43,54)(H,46,55)(H,49,53)(H,50,58)(H,51,57)(H,52,56)(H4,44,45,47)/t26?,32-,33+,34+,35-/m1/s1 | PDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105891
(13-Ethyl-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)Show SMILES CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O Show InChI InChI=1S/C42H54N10O6/c1-2-26-23-36(53)49-34(21-25-16-17-27-10-3-4-11-28(27)20-25)40(57)51-33(15-9-19-47-42(44)45)39(56)52-35(22-29-24-48-31-13-6-5-12-30(29)31)41(58)50-32(37(43)54)14-7-8-18-46-38(26)55/h3-6,10-13,16-17,20,24,26,32-35,48H,2,7-9,14-15,18-19,21-23H2,1H3,(H2,43,54)(H,46,55)(H,49,53)(H,50,58)(H,51,57)(H,52,56)(H4,44,45,47)/t26?,32-,33+,34+,35-/m1/s1 | PDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105888
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 Show InChI InChI=1S/C40H51N11O6/c41-40(42)45-19-7-13-30-36(54)50-33(22-27-23-46-29-11-4-3-10-28(27)29)38(56)49-31(39(57)51-43)12-5-6-18-44-34(52)16-17-35(53)47-32(37(55)48-30)21-24-14-15-25-8-1-2-9-26(25)20-24/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22,43H2,(H,44,52)(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,51,57)(H4,41,42,45)/t30-,31+,32-,33+/m0/s1 | PDB
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Similars
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105895
(6-(3-Guanidino-propyl)-12-(3H-imidazol-4-ylmethyl)...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C46H57N13O7/c47-41(62)34-12-5-6-18-51-39(60)16-17-40(61)55-38(23-31-25-50-26-54-31)45(66)58-36(21-27-14-15-28-8-1-2-9-29(28)20-27)43(64)57-35(13-7-19-52-46(48)49)42(63)59-37(44(65)56-34)22-30-24-53-33-11-4-3-10-32(30)33/h1-4,8-11,14-15,20,24-26,34-38,53H,5-7,12-13,16-19,21-23H2,(H2,47,62)(H,50,54)(H,51,60)(H,55,61)(H,56,65)(H,57,64)(H,58,66)(H,59,63)(H4,48,49,52)/t34-,35+,36+,37-,38+/m1/s1 | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105877
(12-Acetylamino-6-(3-guanidino-propyl)-3-(1H-indol-...)Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C42H53N11O7/c1-24(54)49-35-22-36(55)46-17-7-6-13-31(37(43)56)50-40(59)34(21-28-23-48-30-12-5-4-11-29(28)30)53-38(57)32(14-8-18-47-42(44)45)51-39(58)33(52-41(35)60)20-25-15-16-26-9-2-3-10-27(26)19-25/h2-5,9-12,15-16,19,23,31-35,48H,6-8,13-14,17-18,20-22H2,1H3,(H2,43,56)(H,46,55)(H,49,54)(H,50,59)(H,51,58)(H,52,60)(H,53,57)(H4,44,45,47)/t31-,32+,33+,34-,35+/m1/s1 | PDB
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Similars
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| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105890
(12-Amino-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)Show SMILES N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C40H51N11O6/c41-28-21-34(52)45-16-6-5-12-30(35(42)53)48-39(57)33(20-26-22-47-29-11-4-3-10-27(26)29)51-37(55)31(13-7-17-46-40(43)44)49-38(56)32(50-36(28)54)19-23-14-15-24-8-1-2-9-25(24)18-23/h1-4,8-11,14-15,18,22,28,30-33,47H,5-7,12-13,16-17,19-21,41H2,(H2,42,53)(H,45,52)(H,48,57)(H,49,56)(H,50,54)(H,51,55)(H4,43,44,46)/t28-,30+,31-,32-,33+/m0/s1 | PDB
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| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105878
(8-(3-Guanidino-propyl)-2-(3H-imidazol-4-ylmethyl)-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C42H50N12O6/c43-37(56)32-14-13-29(55)22-49-34(19-28-21-46-23-50-28)39(58)53-35(17-24-11-12-25-6-1-2-7-26(25)16-24)40(59)52-33(10-5-15-47-42(44)45)38(57)54-36(41(60)51-32)18-27-20-48-31-9-4-3-8-30(27)31/h1-4,6-9,11-12,16,20-21,23,32-36,48-49H,5,10,13-15,17-19,22H2,(H2,43,56)(H,46,50)(H,51,60)(H,52,59)(H,53,58)(H,54,57)(H4,44,45,47)/t32-,33+,34+,35-,36-/m1/s1 | PDB
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| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105888
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 Show InChI InChI=1S/C40H51N11O6/c41-40(42)45-19-7-13-30-36(54)50-33(22-27-23-46-29-11-4-3-10-28(27)29)38(56)49-31(39(57)51-43)12-5-6-18-44-34(52)16-17-35(53)47-32(37(55)48-30)21-24-14-15-25-8-1-2-9-26(25)20-24/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22,43H2,(H,44,52)(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,51,57)(H4,41,42,45)/t30-,31+,32-,33+/m0/s1 | PDB
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| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105885
(8-(3-Guanidino-propyl)-5-(1H-indol-3-ylmethyl)-11-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NC2CCC(N2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C39H46N10O6/c40-35(52)31-13-14-32-48-34(51)16-15-33(50)45-29(19-22-11-12-23-6-1-2-7-24(23)18-22)37(54)46-28(10-5-17-43-39(41)42)36(53)47-30(38(55)49(31)32)20-25-21-44-27-9-4-3-8-26(25)27/h1-4,6-9,11-12,18,21,28-32,44H,5,10,13-17,19-20H2,(H2,40,52)(H,45,50)(H,46,54)(H,47,53)(H,48,51)(H4,41,42,43)/t28-,29-,30+,31?,32?/m0/s1 | PDB
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105877
(12-Acetylamino-6-(3-guanidino-propyl)-3-(1H-indol-...)Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C42H53N11O7/c1-24(54)49-35-22-36(55)46-17-7-6-13-31(37(43)56)50-40(59)34(21-28-23-48-30-12-5-4-11-29(28)30)53-38(57)32(14-8-18-47-42(44)45)51-39(58)33(52-41(35)60)20-25-15-16-26-9-2-3-10-27(26)19-25/h2-5,9-12,15-16,19,23,31-35,48H,6-8,13-14,17-18,20-22H2,1H3,(H2,43,56)(H,46,55)(H,49,54)(H,50,59)(H,51,58)(H,52,60)(H,53,57)(H4,44,45,47)/t31-,32+,33+,34-,35+/m1/s1 | PDB
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| 720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105881
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C36H43N9O5/c37-32(47)28-14-13-25(46)20-42-30(17-21-11-12-22-6-1-2-7-23(22)16-21)34(49)44-29(10-5-15-40-36(38)39)33(48)45-31(35(50)43-28)18-24-19-41-27-9-4-3-8-26(24)27/h1-4,6-9,11-12,16,19,28-31,41-42H,5,10,13-15,17-18,20H2,(H2,37,47)(H,43,50)(H,44,49)(H,45,48)(H4,38,39,40)/t28-,29+,30-,31-/m1/s1 | PDB
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| 960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105898
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C40H50N10O6/c41-36(53)30-12-5-6-18-44-34(51)16-17-35(52)47-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(55)49-31(13-7-19-45-40(42)43)37(54)50-33(39(56)48-30)22-27-23-46-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22H2,(H2,41,53)(H,44,51)(H,47,52)(H,48,56)(H,49,55)(H,50,54)(H4,42,43,45)/t30-,31+,32-,33-/m1/s1 | PDB
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105884
(9-(3-Guanidino-propyl)-6-(1H-indol-3-ylmethyl)-12-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C37H44N10O6/c38-33(50)30-20-43-31(48)13-14-32(49)44-28(17-21-11-12-22-6-1-2-7-23(22)16-21)35(52)45-27(10-5-15-41-37(39)40)34(51)46-29(36(53)47-30)18-24-19-42-26-9-4-3-8-25(24)26/h1-4,6-9,11-12,16,19,27-30,42H,5,10,13-15,17-18,20H2,(H2,38,50)(H,43,48)(H,44,49)(H,45,52)(H,46,51)(H,47,53)(H4,39,40,41)/t27-,28-,29+,30?/m0/s1 | PDB
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| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105878
(8-(3-Guanidino-propyl)-2-(3H-imidazol-4-ylmethyl)-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C42H50N12O6/c43-37(56)32-14-13-29(55)22-49-34(19-28-21-46-23-50-28)39(58)53-35(17-24-11-12-25-6-1-2-7-26(25)16-24)40(59)52-33(10-5-15-47-42(44)45)38(57)54-36(41(60)51-32)18-27-20-48-31-9-4-3-8-30(27)31/h1-4,6-9,11-12,16,20-21,23,32-36,48-49H,5,10,13-15,17-19,22H2,(H2,43,56)(H,46,50)(H,51,60)(H,52,59)(H,53,58)(H,54,57)(H4,44,45,47)/t32-,33+,34+,35-,36-/m1/s1 | PDB
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| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105885
(8-(3-Guanidino-propyl)-5-(1H-indol-3-ylmethyl)-11-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NC2CCC(N2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C39H46N10O6/c40-35(52)31-13-14-32-48-34(51)16-15-33(50)45-29(19-22-11-12-23-6-1-2-7-24(23)18-22)37(54)46-28(10-5-17-43-39(41)42)36(53)47-30(38(55)49(31)32)20-25-21-44-27-9-4-3-8-26(25)27/h1-4,6-9,11-12,18,21,28-32,44H,5,10,13-17,19-20H2,(H2,40,52)(H,45,50)(H,46,54)(H,47,53)(H,48,51)(H4,41,42,43)/t28-,29-,30+,31?,32?/m0/s1 | PDB
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105886
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C38H46N10O6/c39-34(51)28-15-17-42-32(49)13-14-33(50)45-30(19-22-11-12-23-6-1-2-7-24(23)18-22)36(53)47-29(10-5-16-43-38(40)41)35(52)48-31(37(54)46-28)20-25-21-44-27-9-4-3-8-26(25)27/h1-4,6-9,11-12,18,21,28-31,44H,5,10,13-17,19-20H2,(H2,39,51)(H,42,49)(H,45,50)(H,46,54)(H,47,53)(H,48,52)(H4,40,41,43)/t28-,29+,30+,31-/m1/s1 | PDB
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| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105878
(8-(3-Guanidino-propyl)-2-(3H-imidazol-4-ylmethyl)-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C42H50N12O6/c43-37(56)32-14-13-29(55)22-49-34(19-28-21-46-23-50-28)39(58)53-35(17-24-11-12-25-6-1-2-7-26(25)16-24)40(59)52-33(10-5-15-47-42(44)45)38(57)54-36(41(60)51-32)18-27-20-48-31-9-4-3-8-30(27)31/h1-4,6-9,11-12,16,20-21,23,32-36,48-49H,5,10,13-15,17-19,22H2,(H2,43,56)(H,46,50)(H,51,60)(H,52,59)(H,53,58)(H,54,57)(H4,44,45,47)/t32-,33+,34+,35-,36-/m1/s1 | PDB
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| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105885
(8-(3-Guanidino-propyl)-5-(1H-indol-3-ylmethyl)-11-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NC2CCC(N2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C39H46N10O6/c40-35(52)31-13-14-32-48-34(51)16-15-33(50)45-29(19-22-11-12-23-6-1-2-7-24(23)18-22)37(54)46-28(10-5-17-43-39(41)42)36(53)47-30(38(55)49(31)32)20-25-21-44-27-9-4-3-8-26(25)27/h1-4,6-9,11-12,18,21,28-32,44H,5,10,13-17,19-20H2,(H2,40,52)(H,45,50)(H,46,54)(H,47,53)(H,48,51)(H4,41,42,43)/t28-,29-,30+,31?,32?/m0/s1 | PDB
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| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105886
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C38H46N10O6/c39-34(51)28-15-17-42-32(49)13-14-33(50)45-30(19-22-11-12-23-6-1-2-7-24(23)18-22)36(53)47-29(10-5-16-43-38(40)41)35(52)48-31(37(54)46-28)20-25-21-44-27-9-4-3-8-26(25)27/h1-4,6-9,11-12,18,21,28-31,44H,5,10,13-17,19-20H2,(H2,39,51)(H,42,49)(H,45,50)(H,46,54)(H,47,53)(H,48,52)(H4,40,41,43)/t28-,29+,30+,31-/m1/s1 | PDB
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Similars
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105897
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C40H50N10O6/c41-36(53)30-12-5-6-18-44-34(51)16-17-35(52)47-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(55)49-31(13-7-19-45-40(42)43)37(54)50-33(39(56)48-30)22-27-23-46-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22H2,(H2,41,53)(H,44,51)(H,47,52)(H,48,56)(H,49,55)(H,50,54)(H4,42,43,45)/t30-,31-,32-,33-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50105896
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C40H50N10O6/c41-36(53)30-12-5-6-18-44-34(51)16-17-35(52)47-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(55)49-31(13-7-19-45-40(42)43)37(54)50-33(39(56)48-30)22-27-23-46-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22H2,(H2,41,53)(H,44,51)(H,47,52)(H,48,56)(H,49,55)(H,50,54)(H4,42,43,45)/t30-,31+,32-,33+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105884
(9-(3-Guanidino-propyl)-6-(1H-indol-3-ylmethyl)-12-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C37H44N10O6/c38-33(50)30-20-43-31(48)13-14-32(49)44-28(17-21-11-12-22-6-1-2-7-23(22)16-21)35(52)45-27(10-5-15-41-37(39)40)34(51)46-29(36(53)47-30)18-24-19-42-26-9-4-3-8-25(24)26/h1-4,6-9,11-12,16,19,27-30,42H,5,10,13-15,17-18,20H2,(H2,38,50)(H,43,48)(H,44,49)(H,45,52)(H,46,51)(H,47,53)(H4,39,40,41)/t27-,28-,29+,30?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105896
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C40H50N10O6/c41-36(53)30-12-5-6-18-44-34(51)16-17-35(52)47-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(55)49-31(13-7-19-45-40(42)43)37(54)50-33(39(56)48-30)22-27-23-46-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22H2,(H2,41,53)(H,44,51)(H,47,52)(H,48,56)(H,49,55)(H,50,54)(H4,42,43,45)/t30-,31+,32-,33+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105898
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C40H50N10O6/c41-36(53)30-12-5-6-18-44-34(51)16-17-35(52)47-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(55)49-31(13-7-19-45-40(42)43)37(54)50-33(39(56)48-30)22-27-23-46-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22H2,(H2,41,53)(H,44,51)(H,47,52)(H,48,56)(H,49,55)(H,50,54)(H4,42,43,45)/t30-,31+,32-,33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105881
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C36H43N9O5/c37-32(47)28-14-13-25(46)20-42-30(17-21-11-12-22-6-1-2-7-23(22)16-21)34(49)44-29(10-5-15-40-36(38)39)33(48)45-31(35(50)43-28)18-24-19-41-27-9-4-3-8-26(24)27/h1-4,6-9,11-12,16,19,28-31,41-42H,5,10,13-15,17-18,20H2,(H2,37,47)(H,43,50)(H,44,49)(H,45,48)(H4,38,39,40)/t28-,29+,30-,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105881
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C36H43N9O5/c37-32(47)28-14-13-25(46)20-42-30(17-21-11-12-22-6-1-2-7-23(22)16-21)34(49)44-29(10-5-15-40-36(38)39)33(48)45-31(35(50)43-28)18-24-19-41-27-9-4-3-8-26(24)27/h1-4,6-9,11-12,16,19,28-31,41-42H,5,10,13-15,17-18,20H2,(H2,37,47)(H,43,50)(H,44,49)(H,45,48)(H4,38,39,40)/t28-,29+,30-,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105898
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C40H50N10O6/c41-36(53)30-12-5-6-18-44-34(51)16-17-35(52)47-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(55)49-31(13-7-19-45-40(42)43)37(54)50-33(39(56)48-30)22-27-23-46-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22H2,(H2,41,53)(H,44,51)(H,47,52)(H,48,56)(H,49,55)(H,50,54)(H4,42,43,45)/t30-,31+,32-,33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105897
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C40H50N10O6/c41-36(53)30-12-5-6-18-44-34(51)16-17-35(52)47-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(55)49-31(13-7-19-45-40(42)43)37(54)50-33(39(56)48-30)22-27-23-46-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22H2,(H2,41,53)(H,44,51)(H,47,52)(H,48,56)(H,49,55)(H,50,54)(H4,42,43,45)/t30-,31-,32-,33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50105896
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C40H50N10O6/c41-36(53)30-12-5-6-18-44-34(51)16-17-35(52)47-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(55)49-31(13-7-19-45-40(42)43)37(54)50-33(39(56)48-30)22-27-23-46-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22H2,(H2,41,53)(H,44,51)(H,47,52)(H,48,56)(H,49,55)(H,50,54)(H4,42,43,45)/t30-,31+,32-,33+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105897
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NC(=N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C40H50N10O6/c41-36(53)30-12-5-6-18-44-34(51)16-17-35(52)47-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(55)49-31(13-7-19-45-40(42)43)37(54)50-33(39(56)48-30)22-27-23-46-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22H2,(H2,41,53)(H,44,51)(H,47,52)(H,48,56)(H,49,55)(H,50,54)(H4,42,43,45)/t30-,31-,32-,33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105892
(12-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C48H64N12O8/c1-3-4-15-36(55-28(2)61)43(64)60-40-26-41(62)52-21-10-9-17-35(42(49)63)56-46(67)39(25-32-27-54-34-16-8-7-14-33(32)34)59-44(65)37(18-11-22-53-48(50)51)57-45(66)38(58-47(40)68)24-29-19-20-30-12-5-6-13-31(30)23-29/h5-8,12-14,16,19-20,23,27,35-40,54H,3-4,9-11,15,17-18,21-22,24-26H2,1-2H3,(H2,49,63)(H,52,62)(H,55,61)(H,56,67)(H,57,66)(H,58,68)(H,59,65)(H,60,64)(H4,50,51,53)/t35-,36+,37+,38+,39-,40+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 87 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105888
(6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...)Show SMILES NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 Show InChI InChI=1S/C40H51N11O6/c41-40(42)45-19-7-13-30-36(54)50-33(22-27-23-46-29-11-4-3-10-28(27)29)38(56)49-31(39(57)51-43)12-5-6-18-44-34(52)16-17-35(53)47-32(37(55)48-30)21-24-14-15-25-8-1-2-9-26(25)20-24/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22,43H2,(H,44,52)(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,51,57)(H4,41,42,45)/t30-,31+,32-,33+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 530 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105879
(15-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41+,42+,43-,44+,45+/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Signal transduction efficacy in cAMP assay in CHO cells expressing human melanocortin receptor 5 |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105895
(6-(3-Guanidino-propyl)-12-(3H-imidazol-4-ylmethyl)...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C46H57N13O7/c47-41(62)34-12-5-6-18-51-39(60)16-17-40(61)55-38(23-31-25-50-26-54-31)45(66)58-36(21-27-14-15-28-8-1-2-9-29(28)20-27)43(64)57-35(13-7-19-52-46(48)49)42(63)59-37(44(65)56-34)22-30-24-53-33-11-4-3-10-32(30)33/h1-4,8-11,14-15,20,24-26,34-38,53H,5-7,12-13,16-19,21-23H2,(H2,47,62)(H,50,54)(H,51,60)(H,55,61)(H,56,65)(H,57,64)(H,58,66)(H,59,63)(H4,48,49,52)/t34-,35+,36+,37-,38+/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105887
(CHEMBL2370553 | Cyclo Ac-Cys-Glu-His-D-(2')Nal-Arg...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O |wU:82.89,89.97,4.3,57.61,42.44,101.109,31.33,wD:9.81,92.105,17.17,67.72,(.52,-47.48,;1.54,-48.63,;1.05,-50.09,;3.04,-48.33,;3.52,-46.86,;5.04,-47.18,;6.57,-47.12,;8.06,-46.67,;9.39,-45.91,;10.5,-44.85,;11.33,-43.55,;11.81,-42.09,;13.33,-42.39,;11.93,-40.55,;11.7,-39.03,;11.09,-37.61,;12.42,-36.84,;10.16,-36.38,;11.28,-35.31,;12.75,-35.73,;13.97,-34.79,;15.24,-35.66,;14.82,-37.14,;15.63,-38.45,;14.9,-39.8,;13.35,-39.85,;12.55,-38.55,;13.27,-37.19,;8.97,-35.4,;7.58,-34.74,;8.06,-33.28,;6.06,-34.43,;6.19,-32.89,;7.58,-32.24,;7.71,-30.7,;9.11,-30.04,;9.23,-28.5,;10.62,-27.84,;7.95,-27.63,;4.53,-34.5,;3.05,-34.91,;2.45,-33.51,;1.71,-35.7,;.79,-34.46,;.78,-32.93,;2.1,-32.14,;2.1,-30.61,;.75,-29.86,;.73,-28.32,;-.61,-27.57,;-1.93,-28.36,;-1.91,-29.88,;-.57,-30.65,;-.55,-32.17,;.61,-36.75,;-.23,-38.06,;-1.62,-37.41,;-.71,-39.53,;-2.23,-39.22,;-2.7,-37.76,;-1.81,-36.5,;-2.72,-35.26,;-4.18,-35.75,;-4.18,-37.29,;-.83,-41.06,;-.58,-42.58,;-2.06,-43.01,;.02,-44,;-1.32,-44.76,;-2.65,-44,;-3.98,-44.76,;-5.32,-44,;-3.98,-46.3,;.94,-45.23,;2.14,-46.21,;1.31,-47.5,;11.7,-45.81,;11.44,-47.34,;13.14,-45.28,;13.05,-43.74,;14.49,-43.2,;15.45,-44.39,;14.62,-45.67,;15.17,-47.12,;14.2,-48.3,;16.7,-47.35,;16.61,-45.81,;18.05,-45.25,;19.01,-46.46,;18.17,-47.75,;18.94,-49.07,;18.16,-50.4,;20.48,-49.07,;21.25,-47.75,;20.48,-46.41,;21.25,-45.08,;20.48,-43.74,;21.26,-42.41,;21.24,-50.4,;22.77,-50.4,;23.55,-49.07,;23.54,-51.74,;25.08,-51.75,;22.76,-53.05,;23.53,-54.41,;22.76,-55.73,;25.06,-54.41,)| Show InChI InChI=1S/C70H93N19O16S2/c1-38(90)80-53-35-106-107-36-54(68(104)89-26-10-18-56(89)69(105)88-25-9-17-55(88)60(96)47(15-6-7-23-71)82-61(97)45(72)31-59(94)95)81-57(91)34-78-62(98)51(29-42-32-77-46-14-5-4-13-44(42)46)86-63(99)48(16-8-24-76-70(73)74)83-65(101)50(28-39-19-20-40-11-2-3-12-41(40)27-39)85-66(102)52(30-43-33-75-37-79-43)87-64(100)49(84-67(53)103)21-22-58(92)93/h2-5,11-14,19-20,27,32-33,37,45,47-56,77H,6-10,15-18,21-26,28-31,34-36,71-72H2,1H3,(H,75,79)(H,78,98)(H,80,90)(H,81,91)(H,82,97)(H,83,101)(H,84,103)(H,85,102)(H,86,99)(H,87,100)(H,92,93)(H,94,95)(H4,73,74,76)/t45?,47?,48-,49+,50-,51+,52-,53+,54-,55?,56?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105877
(12-Acetylamino-6-(3-guanidino-propyl)-3-(1H-indol-...)Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C42H53N11O7/c1-24(54)49-35-22-36(55)46-17-7-6-13-31(37(43)56)50-40(59)34(21-28-23-48-30-12-5-4-11-29(28)30)53-38(57)32(14-8-18-47-42(44)45)51-39(58)33(52-41(35)60)20-25-15-16-26-9-2-3-10-27(26)19-25/h2-5,9-12,15-16,19,23,31-35,48H,6-8,13-14,17-18,20-22H2,1H3,(H2,43,56)(H,46,55)(H,49,54)(H,50,59)(H,51,58)(H,52,60)(H,53,57)(H4,44,45,47)/t31-,32+,33+,34-,35+/m1/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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105882
(CHEMBL2370533 | Cyclo Ac-Cys-Glu-His-D-Phe-(3,4-di...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O |wU:80.86,87.94,4.3,55.58,42.44,99.106,31.33,wD:9.78,90.102,17.17,65.69,(.52,-47.47,;1.54,-48.61,;1.05,-50.07,;3.03,-48.31,;3.52,-46.84,;5.04,-47.16,;6.57,-47.1,;8.05,-46.66,;9.39,-45.89,;10.5,-44.84,;11.32,-43.53,;11.81,-42.07,;13.32,-42.38,;11.93,-40.54,;11.69,-39.02,;11.09,-37.6,;12.42,-36.83,;10.16,-36.37,;11.27,-35.3,;12.74,-35.72,;13.97,-34.78,;15.23,-35.65,;14.81,-37.13,;15.63,-38.43,;14.9,-39.79,;13.35,-39.84,;12.55,-38.53,;13.27,-37.18,;8.97,-35.39,;7.57,-34.73,;8.06,-33.27,;6.06,-34.41,;6.19,-32.88,;7.57,-32.23,;7.71,-30.69,;9.1,-30.03,;9.23,-28.49,;10.62,-27.83,;7.95,-27.62,;4.52,-34.48,;3.05,-34.9,;2.45,-33.5,;1.71,-35.69,;.79,-34.45,;.78,-32.92,;2.1,-32.13,;2.1,-30.6,;.75,-29.85,;.73,-28.31,;-.57,-30.63,;-1.91,-29.87,;-.55,-32.16,;.61,-36.74,;-.22,-38.05,;-1.62,-37.39,;-.71,-39.51,;-2.23,-39.21,;-2.7,-37.74,;-1.81,-36.49,;-2.72,-35.25,;-4.18,-35.74,;-4.18,-37.28,;-.83,-41.05,;-.58,-42.56,;-2.06,-43,;.02,-43.98,;-1.32,-44.75,;-2.65,-43.98,;-3.98,-44.75,;-5.32,-43.98,;-3.98,-46.29,;.94,-45.22,;2.14,-46.19,;1.31,-47.49,;11.69,-45.8,;11.44,-47.33,;13.14,-45.26,;13.04,-43.73,;14.49,-43.18,;15.44,-44.38,;14.62,-45.66,;15.16,-47.1,;14.2,-48.29,;16.69,-47.33,;16.61,-45.8,;18.04,-45.24,;19,-46.44,;18.17,-47.73,;18.93,-49.06,;18.16,-50.38,;20.47,-49.06,;21.24,-47.73,;20.47,-46.39,;21.24,-45.07,;20.47,-43.73,;21.25,-42.4,;21.23,-50.38,;22.77,-50.38,;23.54,-49.06,;23.53,-51.73,;25.07,-51.73,;22.75,-53.04,;23.52,-54.39,;22.75,-55.71,;25.06,-54.39,)| Show InChI InChI=1S/C66H89Cl2N19O16S2/c1-34(88)78-49-31-104-105-32-50(64(102)87-22-8-14-52(87)65(103)86-21-7-13-51(86)56(94)43(11-4-5-19-69)80-57(95)41(70)27-55(92)93)79-53(89)30-76-58(96)47(25-36-28-75-42-10-3-2-9-38(36)42)84-59(97)44(12-6-20-74-66(71)72)81-61(99)46(24-35-15-16-39(67)40(68)23-35)83-62(100)48(26-37-29-73-33-77-37)85-60(98)45(82-63(49)101)17-18-54(90)91/h2-3,9-10,15-16,23,28-29,33,41,43-52,75H,4-8,11-14,17-22,24-27,30-32,69-70H2,1H3,(H,73,77)(H,76,96)(H,78,88)(H,79,89)(H,80,95)(H,81,99)(H,82,101)(H,83,100)(H,84,97)(H,85,98)(H,90,91)(H,92,93)(H4,71,72,74)/t41?,43?,44-,45+,46-,47+,48-,49+,50-,51?,52?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105889
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C39H48N10O6/c40-35(52)29-11-5-17-43-33(50)15-16-34(51)46-31(20-23-13-14-24-7-1-2-8-25(24)19-23)37(54)48-30(12-6-18-44-39(41)42)36(53)49-32(38(55)47-29)21-26-22-45-28-10-4-3-9-27(26)28/h1-4,7-10,13-14,19,22,29-32,45H,5-6,11-12,15-18,20-21H2,(H2,40,52)(H,43,50)(H,46,51)(H,47,55)(H,48,54)(H,49,53)(H4,41,42,44)/t29-,30+,31+,32-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105890
(12-Amino-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)Show SMILES N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O Show InChI InChI=1S/C40H51N11O6/c41-28-21-34(52)45-16-6-5-12-30(35(42)53)48-39(57)33(20-26-22-47-29-11-4-3-10-27(26)29)51-37(55)31(13-7-17-46-40(43)44)49-38(56)32(50-36(28)54)19-23-14-15-24-8-1-2-9-25(24)18-23/h1-4,8-11,14-15,18,22,28,30-33,47H,5-7,12-13,16-17,19-21,41H2,(H2,42,53)(H,45,52)(H,48,57)(H,49,56)(H,50,54)(H,51,55)(H4,43,44,46)/t28-,30+,31-,32-,33+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105884
(9-(3-Guanidino-propyl)-6-(1H-indol-3-ylmethyl)-12-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C37H44N10O6/c38-33(50)30-20-43-31(48)13-14-32(49)44-28(17-21-11-12-22-6-1-2-7-23(22)16-21)35(52)45-27(10-5-15-41-37(39)40)34(51)46-29(36(53)47-30)18-24-19-42-26-9-4-3-8-25(24)26/h1-4,6-9,11-12,16,19,27-30,42H,5,10,13-15,17-18,20H2,(H2,38,50)(H,43,48)(H,44,49)(H,45,52)(H,46,51)(H,47,53)(H4,39,40,41)/t27-,28-,29+,30?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50033134
((3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40+,41+,42-,43-,44+,45+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105883
(3-[25-Acetylamino-4-carbamoyl-13-(3-guanidino-prop...)Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O Show InChI InChI=1S/C51H63N15O11S2/c1-27(67)60-41-25-79-78-24-40(44(52)71)61-42(68)23-58-45(72)38(19-31-21-57-34-10-5-4-9-33(31)34)65-46(73)35(11-6-16-56-51(53)54)62-48(75)37(18-28-12-13-29-7-2-3-8-30(29)17-28)64-49(76)39(20-32-22-55-26-59-32)66-47(74)36(63-50(41)77)14-15-43(69)70/h2-5,7-10,12-13,17,21-22,26,35-41,57H,6,11,14-16,18-20,23-25H2,1H3,(H2,52,71)(H,55,59)(H,58,72)(H,60,67)(H,61,68)(H,62,75)(H,63,77)(H,64,76)(H,65,73)(H,66,74)(H,69,70)(H4,53,54,56)/t35-,36+,37-,38+,39-,40-,41+/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105880
(15-Acetylamino-6-(3-guanidino-propyl)-12-(3H-imida...)Show SMILES CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C48H60N14O8/c1-27(63)57-40-23-41(64)53-17-7-6-13-35(42(49)65)58-45(68)38(21-31-24-55-34-12-5-4-11-33(31)34)61-43(66)36(14-8-18-54-48(50)51)59-44(67)37(20-28-15-16-29-9-2-3-10-30(29)19-28)60-46(69)39(62-47(40)70)22-32-25-52-26-56-32/h2-5,9-12,15-16,19,24-26,35-40,55H,6-8,13-14,17-18,20-23H2,1H3,(H2,49,65)(H,52,56)(H,53,64)(H,57,63)(H,58,68)(H,59,67)(H,60,69)(H,61,66)(H,62,70)(H4,50,51,54)/t35-,36+,37-,38-,39+,40+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105894
(16-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)49(74)69-45-27-46(71)64-44(26-36-29-58-30-62-36)53(78)67-42(24-32-19-20-33-12-5-6-13-34(33)23-32)51(76)66-41(18-11-22-60-54(56)57)50(75)68-43(25-35-28-61-38-16-8-7-14-37(35)38)52(77)65-39(47(55)72)17-9-10-21-59-48(45)73/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,73)(H,63,70)(H,64,71)(H,65,77)(H,66,76)(H,67,78)(H,68,75)(H,69,74)(H4,56,57,60)/t39-,40+,41+,42-,43-,44+,45-/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105878
(8-(3-Guanidino-propyl)-2-(3H-imidazol-4-ylmethyl)-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C42H50N12O6/c43-37(56)32-14-13-29(55)22-49-34(19-28-21-46-23-50-28)39(58)53-35(17-24-11-12-25-6-1-2-7-26(25)16-24)40(59)52-33(10-5-15-47-42(44)45)38(57)54-36(41(60)51-32)18-27-20-48-31-9-4-3-8-30(27)31/h1-4,6-9,11-12,16,20-21,23,32-36,48-49H,5,10,13-15,17-19,22H2,(H2,43,56)(H,46,50)(H,51,60)(H,52,59)(H,53,58)(H,54,57)(H4,44,45,47)/t32-,33+,34+,35-,36-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105891
(13-Ethyl-6-(3-guanidino-propyl)-3-(1H-indol-3-ylme...)Show SMILES CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O Show InChI InChI=1S/C42H54N10O6/c1-2-26-23-36(53)49-34(21-25-16-17-27-10-3-4-11-28(27)20-25)40(57)51-33(15-9-19-47-42(44)45)39(56)52-35(22-29-24-48-31-13-6-5-12-30(29)31)41(58)50-32(37(43)54)14-7-8-18-46-38(26)55/h3-6,10-13,16-17,20,24,26,32-35,48H,2,7-9,14-15,18-19,21-23H2,1H3,(H2,43,54)(H,46,55)(H,49,53)(H,50,58)(H,51,57)(H,52,56)(H4,44,45,47)/t26?,32-,33+,34+,35-/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105893
(9-(3-Guanidino-propyl)-15-(3H-imidazol-4-ylmethyl)...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C43H51N13O7/c44-38(59)35-22-50-36(57)13-14-37(58)52-34(19-28-21-47-23-51-28)42(63)54-32(17-24-11-12-25-6-1-2-7-26(25)16-24)40(61)53-31(10-5-15-48-43(45)46)39(60)55-33(41(62)56-35)18-27-20-49-30-9-4-3-8-29(27)30/h1-4,6-9,11-12,16,20-21,23,31-35,49H,5,10,13-15,17-19,22H2,(H2,44,59)(H,47,51)(H,50,57)(H,52,58)(H,53,61)(H,54,63)(H,55,60)(H,56,62)(H4,45,46,48)/t31-,32-,33+,34-,35?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50105876
(15-Amino-6-(3-guanidino-propyl)-12-(3H-imidazol-4-...)Show SMILES N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C46H58N14O7/c47-32-22-39(61)52-16-6-5-12-34(40(48)62)56-44(66)37(20-29-23-54-33-11-4-3-10-31(29)33)60-42(64)35(13-7-17-53-46(49)50)57-43(65)36(19-26-14-15-27-8-1-2-9-28(27)18-26)59-45(67)38(58-41(32)63)21-30-24-51-25-55-30/h1-4,8-11,14-15,18,23-25,32,34-38,54H,5-7,12-13,16-17,19-22,47H2,(H2,48,62)(H,51,55)(H,52,61)(H,56,66)(H,57,65)(H,58,63)(H,59,67)(H,60,64)(H4,49,50,53)/t32-,34+,35-,36-,37+,38-/m0/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. |
J Med Chem 44: 3665-72 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5T9S |
More data for this
Ligand-Target Pair | |
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