Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50017241 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)) | BDBM50179466
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H50FN7O5/c1-26(50)47-34(24-28-12-19-35(51)20-13-28)18-15-32(22-27-10-16-33(42)17-11-27)38(52)48-36(8-5-21-46-41(43)44)40(54)49-37(39(53)45-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-17,19-20,23,32,34,36-37,51H,5,8,15,18,21-22,24-25H2,1-2H3,(H,45,53)(H,47,50)(H,48,52)(H,49,54)(H4,43,44,46)/t32-,34-,36+,37+/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179460
((R)-2-acetylamino-N-{(R)-1-benzyl-2-[(2S,4R)-4-ben...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C35H44N6O5/c1-24(42)39-31(19-26-14-16-29(43)17-15-26)33(44)40-32(20-25-9-4-2-5-10-25)34(45)41-22-30(46-23-27-11-6-3-7-12-27)21-28(41)13-8-18-38-35(36)37/h2-7,9-12,14-17,28,30-32,43H,8,13,18-23H2,1H3,(H,39,42)(H,40,44)(H4,36,37,38)/t28-,30+,31+,32+/m0/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC1 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179460
((R)-2-acetylamino-N-{(R)-1-benzyl-2-[(2S,4R)-4-ben...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C35H44N6O5/c1-24(42)39-31(19-26-14-16-29(43)17-15-26)33(44)40-32(20-25-9-4-2-5-10-25)34(45)41-22-30(46-23-27-11-6-3-7-12-27)21-28(41)13-8-18-38-35(36)37/h2-7,9-12,14-17,28,30-32,43H,8,13,18-23H2,1H3,(H,39,42)(H,40,44)(H4,36,37,38)/t28-,30+,31+,32+/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179468
((S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C34H42N6O3/c35-34(36)37-17-9-16-28-20-29(43-23-25-12-5-2-6-13-25)22-40(28)33(42)31(18-24-10-3-1-4-11-24)39-32(41)30-19-26-14-7-8-15-27(26)21-38-30/h1-8,10-15,28-31,38H,9,16-23H2,(H,39,41)(H4,35,36,37)/t28-,29+,30+,31+/m0/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179460
((R)-2-acetylamino-N-{(R)-1-benzyl-2-[(2S,4R)-4-ben...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C35H44N6O5/c1-24(42)39-31(19-26-14-16-29(43)17-15-26)33(44)40-32(20-25-9-4-2-5-10-25)34(45)41-22-30(46-23-27-11-6-3-7-12-27)21-28(41)13-8-18-38-35(36)37/h2-7,9-12,14-17,28,30-32,43H,8,13,18-23H2,1H3,(H,39,42)(H,40,44)(H4,36,37,38)/t28-,30+,31+,32+/m0/s1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC3 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179467
(CHEMBL381357 | Tic-D-Phe-Arg-2-Nal-NHCH3)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1 Show InChI InChI=1S/C39H46N8O4/c1-42-35(48)33(22-26-17-18-27-12-5-6-13-28(27)20-26)46-36(49)31(16-9-19-43-39(40)41)45-38(51)34(21-25-10-3-2-4-11-25)47-37(50)32-23-29-14-7-8-15-30(29)24-44-32/h2-8,10-15,17-18,20,31-34,44H,9,16,19,21-24H2,1H3,(H,42,48)(H,45,51)(H,46,49)(H,47,50)(H4,40,41,43)/t31-,32-,33-,34+/m0/s1 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179468
((S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C34H42N6O3/c35-34(36)37-17-9-16-28-20-29(43-23-25-12-5-2-6-13-25)22-40(28)33(42)31(18-24-10-3-1-4-11-24)39-32(41)30-19-26-14-7-8-15-27(26)21-38-30/h1-8,10-15,28-31,38H,9,16-23H2,(H,39,41)(H4,35,36,37)/t28-,29+,30+,31+/m0/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC1 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179461
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-phenyl...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H50FN7O4/c1-27(50)47-35(25-28-9-4-3-5-10-28)21-18-33(23-29-15-19-34(42)20-16-29)38(51)48-36(13-8-22-46-41(43)44)40(53)49-37(39(52)45-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,19-20,24,33,35-37H,8,13,18,21-23,25-26H2,1-2H3,(H,45,52)(H,47,50)(H,48,51)(H,49,53)(H4,43,44,46)/t33-,35-,36+,37+/m1/s1 | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179464
(CHEMBL380437 | N-{3-[(2S,4R)-4-benzyloxy-1-((R)-2-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1)-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C35H45N5O2/c36-35(37)38-19-9-16-32-22-33(42-25-27-12-5-2-6-13-27)24-40(32)34(41)29(20-26-10-3-1-4-11-26)17-18-31-21-28-14-7-8-15-30(28)23-39-31/h1-8,10-15,29,31-33,39H,9,16-25H2,(H4,36,37,38)/t29-,31+,32+,33-/m1/s1 | PDB
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| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC1 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179464
(CHEMBL380437 | N-{3-[(2S,4R)-4-benzyloxy-1-((R)-2-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1)-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C35H45N5O2/c36-35(37)38-19-9-16-32-22-33(42-25-27-12-5-2-6-13-27)24-40(32)34(41)29(20-26-10-3-1-4-11-26)17-18-31-21-28-14-7-8-15-30(28)23-39-31/h1-8,10-15,29,31-33,39H,9,16-25H2,(H4,36,37,38)/t29-,31+,32+,33-/m1/s1 | PDB
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| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179459
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(4-hydroxy-pheny...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C40H48N8O6/c1-25(49)45-34(23-27-15-18-31(50)19-16-27)38(53)48-35(22-26-9-4-3-5-10-26)39(54)46-32(13-8-20-44-40(41)42)37(52)47-33(36(51)43-2)24-28-14-17-29-11-6-7-12-30(29)21-28/h3-7,9-12,14-19,21,32-35,50H,8,13,20,22-24H2,1-2H3,(H,43,51)(H,45,49)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,44)/t32-,33-,34-,35+/m0/s1 | PDB
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| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179463
((2R,5R)-5-acetylamino-2-benzyl-6-(4-hydroxy-phenyl...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccccc1 Show InChI InChI=1S/C41H51N7O5/c1-27(49)46-34(25-29-15-20-35(50)21-16-29)19-18-33(23-28-9-4-3-5-10-28)38(51)47-36(13-8-22-45-41(42)43)40(53)48-37(39(52)44-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,20-21,24,33-34,36-37,50H,8,13,18-19,22-23,25-26H2,1-2H3,(H,44,52)(H,46,49)(H,47,51)(H,48,53)(H4,42,43,45)/t33-,34-,36+,37+/m1/s1 | PDB
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| 214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179465
((2R,5R)-5-acetylamino-6-(4-chloro-phenyl)-2-(4-flu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H49ClFN7O4/c1-26(51)48-35(24-28-10-16-33(42)17-11-28)20-15-32(22-27-12-18-34(43)19-13-27)38(52)49-36(8-5-21-47-41(44)45)40(54)50-37(39(53)46-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-19,23,32,35-37H,5,8,15,20-22,24-25H2,1-2H3,(H,46,53)(H,48,51)(H,49,52)(H,50,54)(H4,44,45,47)/t32-,35-,36+,37+/m1/s1 | PDB
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| 214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179462
((S)-2-((R)-2-benzyl-4-(R)-1,2,3,4-tetrahydro-isoqu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1 Show InChI InChI=1S/C40H49N7O3/c1-43-38(49)36(24-28-17-18-29-12-5-6-13-30(29)23-28)47-39(50)35(16-9-21-44-40(41)42)46-37(48)32(22-27-10-3-2-4-11-27)19-20-34-25-31-14-7-8-15-33(31)26-45-34/h2-8,10-15,17-18,23,32,34-36,45H,9,16,19-22,24-26H2,1H3,(H,43,49)(H,46,48)(H,47,50)(H4,41,42,44)/t32-,34-,35+,36+/m1/s1 | PDB
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179464
(CHEMBL380437 | N-{3-[(2S,4R)-4-benzyloxy-1-((R)-2-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1)-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C35H45N5O2/c36-35(37)38-19-9-16-32-22-33(42-25-27-12-5-2-6-13-27)24-40(32)34(41)29(20-26-10-3-1-4-11-26)17-18-31-21-28-14-7-8-15-30(28)23-39-31/h1-8,10-15,29,31-33,39H,9,16-25H2,(H4,36,37,38)/t29-,31+,32+,33-/m1/s1 | PDB
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| 382 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC3 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179468
((S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C34H42N6O3/c35-34(36)37-17-9-16-28-20-29(43-23-25-12-5-2-6-13-25)22-40(28)33(42)31(18-24-10-3-1-4-11-24)39-32(41)30-19-26-14-7-8-15-27(26)21-38-30/h1-8,10-15,28-31,38H,9,16-23H2,(H,39,41)(H4,35,36,37)/t28-,29+,30+,31+/m0/s1 | PDB
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| 468 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC3 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179467
(CHEMBL381357 | Tic-D-Phe-Arg-2-Nal-NHCH3)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1 Show InChI InChI=1S/C39H46N8O4/c1-42-35(48)33(22-26-17-18-27-12-5-6-13-28(27)20-26)46-36(49)31(16-9-19-43-39(40)41)45-38(51)34(21-25-10-3-2-4-11-25)47-37(50)32-23-29-14-7-8-15-30(29)24-44-32/h2-8,10-15,17-18,20,31-34,44H,9,16,19,21-24H2,1H3,(H,42,48)(H,45,51)(H,46,49)(H,47,50)(H4,40,41,43)/t31-,32-,33-,34+/m0/s1 | PDB
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| 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC3 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179459
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(4-hydroxy-pheny...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C40H48N8O6/c1-25(49)45-34(23-27-15-18-31(50)19-16-27)38(53)48-35(22-26-9-4-3-5-10-26)39(54)46-32(13-8-20-44-40(41)42)37(52)47-33(36(51)43-2)24-28-14-17-29-11-6-7-12-30(29)21-28/h3-7,9-12,14-19,21,32-35,50H,8,13,20,22-24H2,1-2H3,(H,43,51)(H,45,49)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,44)/t32-,33-,34-,35+/m0/s1 | PDB
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| 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC3 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179467
(CHEMBL381357 | Tic-D-Phe-Arg-2-Nal-NHCH3)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1 Show InChI InChI=1S/C39H46N8O4/c1-42-35(48)33(22-26-17-18-27-12-5-6-13-28(27)20-26)46-36(49)31(16-9-19-43-39(40)41)45-38(51)34(21-25-10-3-2-4-11-25)47-37(50)32-23-29-14-7-8-15-30(29)24-44-32/h2-8,10-15,17-18,20,31-34,44H,9,16,19,21-24H2,1H3,(H,42,48)(H,45,51)(H,46,49)(H,47,50)(H4,40,41,43)/t31-,32-,33-,34+/m0/s1 | PDB
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| 2.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC1 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179462
((S)-2-((R)-2-benzyl-4-(R)-1,2,3,4-tetrahydro-isoqu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1 Show InChI InChI=1S/C40H49N7O3/c1-43-38(49)36(24-28-17-18-29-12-5-6-13-30(29)23-28)47-39(50)35(16-9-21-44-40(41)42)46-37(48)32(22-27-10-3-2-4-11-27)19-20-34-25-31-14-7-8-15-33(31)26-45-34/h2-8,10-15,17-18,23,32,34-36,45H,9,16,19-22,24-26H2,1H3,(H,43,49)(H,46,48)(H,47,50)(H4,41,42,44)/t32-,34-,35+,36+/m1/s1 | PDB
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| 2.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC3 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179462
((S)-2-((R)-2-benzyl-4-(R)-1,2,3,4-tetrahydro-isoqu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1 Show InChI InChI=1S/C40H49N7O3/c1-43-38(49)36(24-28-17-18-29-12-5-6-13-30(29)23-28)47-39(50)35(16-9-21-44-40(41)42)46-37(48)32(22-27-10-3-2-4-11-27)19-20-34-25-31-14-7-8-15-33(31)26-45-34/h2-8,10-15,17-18,23,32,34-36,45H,9,16,19-22,24-26H2,1H3,(H,43,49)(H,46,48)(H,47,50)(H4,41,42,44)/t32-,34-,35+,36+/m1/s1 | PDB
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| 3.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC1 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179459
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(4-hydroxy-pheny...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C40H48N8O6/c1-25(49)45-34(23-27-15-18-31(50)19-16-27)38(53)48-35(22-26-9-4-3-5-10-26)39(54)46-32(13-8-20-44-40(41)42)37(52)47-33(36(51)43-2)24-28-14-17-29-11-6-7-12-30(29)21-28/h3-7,9-12,14-19,21,32-35,50H,8,13,20,22-24H2,1-2H3,(H,43,51)(H,45,49)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,44)/t32-,33-,34-,35+/m0/s1 | PDB
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| 4.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC1 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179466
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H50FN7O5/c1-26(50)47-34(24-28-12-19-35(51)20-13-28)18-15-32(22-27-10-16-33(42)17-11-27)38(52)48-36(8-5-21-46-41(43)44)40(54)49-37(39(53)45-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-17,19-20,23,32,34,36-37,51H,5,8,15,18,21-22,24-25H2,1-2H3,(H,45,53)(H,47,50)(H,48,52)(H,49,54)(H4,43,44,46)/t32-,34-,36+,37+/m1/s1 | PDB
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| 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC3 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179463
((2R,5R)-5-acetylamino-2-benzyl-6-(4-hydroxy-phenyl...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccccc1 Show InChI InChI=1S/C41H51N7O5/c1-27(49)46-34(25-29-15-20-35(50)21-16-29)19-18-33(23-28-9-4-3-5-10-28)38(51)47-36(13-8-22-45-41(42)43)40(53)48-37(39(52)44-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,20-21,24,33-34,36-37,50H,8,13,18-19,22-23,25-26H2,1-2H3,(H,44,52)(H,46,49)(H,47,51)(H,48,53)(H4,42,43,45)/t33-,34-,36+,37+/m1/s1 | PDB
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| 8.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC1 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179465
((2R,5R)-5-acetylamino-6-(4-chloro-phenyl)-2-(4-flu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H49ClFN7O4/c1-26(51)48-35(24-28-10-16-33(42)17-11-28)20-15-32(22-27-12-18-34(43)19-13-27)38(52)49-36(8-5-21-47-41(44)45)40(54)50-37(39(53)46-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-19,23,32,35-37H,5,8,15,20-22,24-25H2,1-2H3,(H,46,53)(H,48,51)(H,49,52)(H,50,54)(H4,44,45,47)/t32-,35-,36+,37+/m1/s1 | PDB
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| 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC1 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179465
((2R,5R)-5-acetylamino-6-(4-chloro-phenyl)-2-(4-flu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H49ClFN7O4/c1-26(51)48-35(24-28-10-16-33(42)17-11-28)20-15-32(22-27-12-18-34(43)19-13-27)38(52)49-36(8-5-21-47-41(44)45)40(54)50-37(39(53)46-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-19,23,32,35-37H,5,8,15,20-22,24-25H2,1-2H3,(H,46,53)(H,48,51)(H,49,52)(H,50,54)(H4,44,45,47)/t32-,35-,36+,37+/m1/s1 | PDB
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| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC3 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179466
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H50FN7O5/c1-26(50)47-34(24-28-12-19-35(51)20-13-28)18-15-32(22-27-10-16-33(42)17-11-27)38(52)48-36(8-5-21-46-41(43)44)40(54)49-37(39(53)45-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-17,19-20,23,32,34,36-37,51H,5,8,15,18,21-22,24-25H2,1-2H3,(H,45,53)(H,47,50)(H,48,52)(H,49,54)(H4,43,44,46)/t32-,34-,36+,37+/m1/s1 | PDB
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| 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC1 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179461
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-phenyl...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H50FN7O4/c1-27(50)47-35(25-28-9-4-3-5-10-28)21-18-33(23-29-15-19-34(42)20-16-29)38(51)48-36(13-8-22-46-41(43)44)40(53)49-37(39(52)45-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,19-20,24,33,35-37H,8,13,18,21-23,25-26H2,1-2H3,(H,45,52)(H,47,50)(H,48,51)(H,49,53)(H4,43,44,46)/t33-,35-,36+,37+/m1/s1 | PDB
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| 2.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC1 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179463
((2R,5R)-5-acetylamino-2-benzyl-6-(4-hydroxy-phenyl...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccccc1 Show InChI InChI=1S/C41H51N7O5/c1-27(49)46-34(25-29-15-20-35(50)21-16-29)19-18-33(23-28-9-4-3-5-10-28)38(51)47-36(13-8-22-45-41(42)43)40(53)48-37(39(52)44-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,20-21,24,33-34,36-37,50H,8,13,18-19,22-23,25-26H2,1-2H3,(H,44,52)(H,46,49)(H,47,51)(H,48,53)(H4,42,43,45)/t33-,34-,36+,37+/m1/s1 | PDB
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| 2.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC3 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50179461
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-phenyl...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H50FN7O4/c1-27(50)47-35(25-28-9-4-3-5-10-28)21-18-33(23-29-15-19-34(42)20-16-29)38(51)48-36(13-8-22-46-41(43)44)40(53)49-37(39(52)45-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,19-20,24,33,35-37H,8,13,18,21-23,25-26H2,1-2H3,(H,45,52)(H,47,50)(H,48,51)(H,49,53)(H4,43,44,46)/t33-,35-,36+,37+/m1/s1 | PDB
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| 5.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC3 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179468
((S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C34H42N6O3/c35-34(36)37-17-9-16-28-20-29(43-23-25-12-5-2-6-13-25)22-40(28)33(42)31(18-24-10-3-1-4-11-24)39-32(41)30-19-26-14-7-8-15-27(26)21-38-30/h1-8,10-15,28-31,38H,9,16-23H2,(H,39,41)(H4,35,36,37)/t28-,29+,30+,31+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist potency at MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179466
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H50FN7O5/c1-26(50)47-34(24-28-12-19-35(51)20-13-28)18-15-32(22-27-10-16-33(42)17-11-27)38(52)48-36(8-5-21-46-41(43)44)40(54)49-37(39(53)45-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-17,19-20,23,32,34,36-37,51H,5,8,15,18,21-22,24-25H2,1-2H3,(H,45,53)(H,47,50)(H,48,52)(H,49,54)(H4,43,44,46)/t32-,34-,36+,37+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist potency at MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179464
(CHEMBL380437 | N-{3-[(2S,4R)-4-benzyloxy-1-((R)-2-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1)-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C35H45N5O2/c36-35(37)38-19-9-16-32-22-33(42-25-27-12-5-2-6-13-27)24-40(32)34(41)29(20-26-10-3-1-4-11-26)17-18-31-21-28-14-7-8-15-30(28)23-39-31/h1-8,10-15,29,31-33,39H,9,16-25H2,(H4,36,37,38)/t29-,31+,32+,33-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 142 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist potency at MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179461
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-phenyl...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H50FN7O4/c1-27(50)47-35(25-28-9-4-3-5-10-28)21-18-33(23-29-15-19-34(42)20-16-29)38(51)48-36(13-8-22-46-41(43)44)40(53)49-37(39(52)45-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,19-20,24,33,35-37H,8,13,18,21-23,25-26H2,1-2H3,(H,45,52)(H,47,50)(H,48,51)(H,49,53)(H4,43,44,46)/t33-,35-,36+,37+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist potency at MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179463
((2R,5R)-5-acetylamino-2-benzyl-6-(4-hydroxy-phenyl...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccccc1 Show InChI InChI=1S/C41H51N7O5/c1-27(49)46-34(25-29-15-20-35(50)21-16-29)19-18-33(23-28-9-4-3-5-10-28)38(51)47-36(13-8-22-45-41(42)43)40(53)48-37(39(52)44-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,20-21,24,33-34,36-37,50H,8,13,18-19,22-23,25-26H2,1-2H3,(H,44,52)(H,46,49)(H,47,51)(H,48,53)(H4,42,43,45)/t33-,34-,36+,37+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist potency at MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179459
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(4-hydroxy-pheny...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C40H48N8O6/c1-25(49)45-34(23-27-15-18-31(50)19-16-27)38(53)48-35(22-26-9-4-3-5-10-26)39(54)46-32(13-8-20-44-40(41)42)37(52)47-33(36(51)43-2)24-28-14-17-29-11-6-7-12-30(29)21-28/h3-7,9-12,14-19,21,32-35,50H,8,13,20,22-24H2,1-2H3,(H,43,51)(H,45,49)(H,46,54)(H,47,52)(H,48,53)(H4,41,42,44)/t32-,33-,34-,35+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist potency at MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179465
((2R,5R)-5-acetylamino-6-(4-chloro-phenyl)-2-(4-flu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H49ClFN7O4/c1-26(51)48-35(24-28-10-16-33(42)17-11-28)20-15-32(22-27-12-18-34(43)19-13-27)38(52)49-36(8-5-21-47-41(44)45)40(54)50-37(39(53)46-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-19,23,32,35-37H,5,8,15,20-22,24-25H2,1-2H3,(H,46,53)(H,48,51)(H,49,52)(H,50,54)(H4,44,45,47)/t32-,35-,36+,37+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 193 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist potency at MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179460
((R)-2-acetylamino-N-{(R)-1-benzyl-2-[(2S,4R)-4-ben...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C35H44N6O5/c1-24(42)39-31(19-26-14-16-29(43)17-15-26)33(44)40-32(20-25-9-4-2-5-10-25)34(45)41-22-30(46-23-27-11-6-3-7-12-27)21-28(41)13-8-18-38-35(36)37/h2-7,9-12,14-17,28,30-32,43H,8,13,18-23H2,1H3,(H,39,42)(H,40,44)(H4,36,37,38)/t28-,30+,31+,32+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist potency at MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179467
(CHEMBL381357 | Tic-D-Phe-Arg-2-Nal-NHCH3)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1 Show InChI InChI=1S/C39H46N8O4/c1-42-35(48)33(22-26-17-18-27-12-5-6-13-28(27)20-26)46-36(49)31(16-9-19-43-39(40)41)45-38(51)34(21-25-10-3-2-4-11-25)47-37(50)32-23-29-14-7-8-15-30(29)24-44-32/h2-8,10-15,17-18,20,31-34,44H,9,16,19,21-24H2,1H3,(H,42,48)(H,45,51)(H,46,49)(H,47,50)(H4,40,41,43)/t31-,32-,33-,34+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist potency at MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179462
((S)-2-((R)-2-benzyl-4-(R)-1,2,3,4-tetrahydro-isoqu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1 Show InChI InChI=1S/C40H49N7O3/c1-43-38(49)36(24-28-17-18-29-12-5-6-13-30(29)23-28)47-39(50)35(16-9-21-44-40(41)42)46-37(48)32(22-27-10-3-2-4-11-27)19-20-34-25-31-14-7-8-15-33(31)26-45-34/h2-8,10-15,17-18,23,32,34-36,45H,9,16,19-22,24-26H2,1H3,(H,43,49)(H,46,48)(H,47,50)(H4,41,42,44)/t32-,34-,35+,36+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist potency at MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
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