Found 108 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 |
|---|
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189013
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)| Show InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35(51)47-32(20-26-9-4-3-5-10-26)37(53)48-17-18-49(38(54)33(48)13-8-16-44-39(40)41)34(36(52)42-2)21-27-14-15-28-11-6-7-12-29(28)19-27/h3-7,9-12,14-15,19,23-24,31-34H,8,13,16-18,20-22H2,1-2H3,(H,42,52)(H,43,45)(H,46,50)(H,47,51)(H4,40,41,44)/t31-,32+,33-,34-/m0/s1 | PDB
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| Article
PubMed
| 0.400 | 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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189024
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H49FN8O6/c1-26(52)48-34(23-28-12-17-33(53)18-13-28)38(54)49-35(24-27-10-15-32(43)16-11-27)40(56)50-20-21-51(41(57)36(50)8-5-19-47-42(44)45)37(39(55)46-2)25-29-9-14-30-6-3-4-7-31(30)22-29/h3-4,6-7,9-18,22,34-37,53H,5,8,19-21,23-25H2,1-2H3,(H,46,55)(H,48,52)(H,49,54)(H4,44,45,47)/t34-,35+,36-,37-/m0/s1 | PDB
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| 0.400 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189010
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H50N8O6/c1-27(51)47-34(24-29-15-18-33(52)19-16-29)38(53)48-35(25-28-9-4-3-5-10-28)40(55)49-21-22-50(41(56)36(49)13-8-20-46-42(43)44)37(39(54)45-2)26-30-14-17-31-11-6-7-12-32(31)23-30/h3-7,9-12,14-19,23,34-37,52H,8,13,20-22,24-26H2,1-2H3,(H,45,54)(H,47,51)(H,48,53)(H4,43,44,46)/t34-,35+,36-,37-/m0/s1 | PDB
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| 0.600 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189013
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)| Show InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35(51)47-32(20-26-9-4-3-5-10-26)37(53)48-17-18-49(38(54)33(48)13-8-16-44-39(40)41)34(36(52)42-2)21-27-14-15-28-11-6-7-12-29(28)19-27/h3-7,9-12,14-15,19,23-24,31-34H,8,13,16-18,20-22H2,1-2H3,(H,42,52)(H,43,45)(H,46,50)(H,47,51)(H4,40,41,44)/t31-,32+,33-,34-/m0/s1 | PDB
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| 0.800 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189013
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)| Show InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35(51)47-32(20-26-9-4-3-5-10-26)37(53)48-17-18-49(38(54)33(48)13-8-16-44-39(40)41)34(36(52)42-2)21-27-14-15-28-11-6-7-12-29(28)19-27/h3-7,9-12,14-15,19,23-24,31-34H,8,13,16-18,20-22H2,1-2H3,(H,42,52)(H,43,45)(H,46,50)(H,47,51)(H4,40,41,44)/t31-,32+,33-,34-/m0/s1 | PDB
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| 1 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189010
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H50N8O6/c1-27(51)47-34(24-29-15-18-33(52)19-16-29)38(53)48-35(25-28-9-4-3-5-10-28)40(55)49-21-22-50(41(56)36(49)13-8-20-46-42(43)44)37(39(54)45-2)26-30-14-17-31-11-6-7-12-32(31)23-30/h3-7,9-12,14-19,23,34-37,52H,8,13,20-22,24-26H2,1-2H3,(H,45,54)(H,47,51)(H,48,53)(H4,43,44,46)/t34-,35+,36-,37-/m0/s1 | PDB
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| 1 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189010
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H50N8O6/c1-27(51)47-34(24-29-15-18-33(52)19-16-29)38(53)48-35(25-28-9-4-3-5-10-28)40(55)49-21-22-50(41(56)36(49)13-8-20-46-42(43)44)37(39(54)45-2)26-30-14-17-31-11-6-7-12-32(31)23-30/h3-7,9-12,14-19,23,34-37,52H,8,13,20-22,24-26H2,1-2H3,(H,45,54)(H,47,51)(H,48,53)(H4,43,44,46)/t34-,35+,36-,37-/m0/s1 | PDB
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| 1 | 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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189025
((S)-2-acetamido-N1-((R)-3-(4-fluorophenyl)-1-((S)-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O Show InChI InChI=1S/C38H48FN9O6/c1-23(49)45-29(15-16-33(40)50)34(51)46-30(21-24-10-13-28(39)14-11-24)36(53)47-18-19-48(37(54)31(47)8-5-17-44-38(41)42)32(35(52)43-2)22-25-9-12-26-6-3-4-7-27(26)20-25/h3-4,6-7,9-14,20,29-32H,5,8,15-19,21-22H2,1-2H3,(H2,40,50)(H,43,52)(H,45,49)(H,46,51)(H4,41,42,44)/t29-,30+,31-,32-/m0/s1 | PDB
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| 1.10 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189024
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H49FN8O6/c1-26(52)48-34(23-28-12-17-33(53)18-13-28)38(54)49-35(24-27-10-15-32(43)16-11-27)40(56)50-20-21-51(41(57)36(50)8-5-19-47-42(44)45)37(39(55)46-2)25-29-9-14-30-6-3-4-7-31(30)22-29/h3-4,6-7,9-18,22,34-37,53H,5,8,19-21,23-25H2,1-2H3,(H,46,55)(H,48,52)(H,49,54)(H4,44,45,47)/t34-,35+,36-,37-/m0/s1 | PDB
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| 1.10 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189014
((S)-2-((S)-4-((R)-2-acetamido-3-(4-fluorophenyl)pr...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O Show InChI InChI=1S/C33H40FN7O4/c1-21(42)39-27(19-22-10-13-26(34)14-11-22)31(44)40-16-17-41(32(45)28(40)8-5-15-38-33(35)36)29(30(43)37-2)20-23-9-12-24-6-3-4-7-25(24)18-23/h3-4,6-7,9-14,18,27-29H,5,8,15-17,19-20H2,1-2H3,(H,37,43)(H,39,42)(H4,35,36,38)/t27-,28+,29+/m1/s1 | PDB
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| 1.30 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189023
((S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)N1CCNCC1 Show InChI InChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1 | PDB
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| 1.30 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189025
((S)-2-acetamido-N1-((R)-3-(4-fluorophenyl)-1-((S)-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O Show InChI InChI=1S/C38H48FN9O6/c1-23(49)45-29(15-16-33(40)50)34(51)46-30(21-24-10-13-28(39)14-11-24)36(53)47-18-19-48(37(54)31(47)8-5-17-44-38(41)42)32(35(52)43-2)22-25-9-12-26-6-3-4-7-27(26)20-25/h3-4,6-7,9-14,20,29-32H,5,8,15-19,21-22H2,1-2H3,(H2,40,50)(H,43,52)(H,45,49)(H,46,51)(H4,41,42,44)/t29-,30+,31-,32-/m0/s1 | PDB
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| 2 | 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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189022
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.44,44.55,(15.61,-28.99,;16.95,-28.22,;18.29,-29,;18.28,-30.54,;19.62,-28.23,;20.95,-29.01,;20.95,-30.55,;19.61,-31.31,;19.61,-32.85,;20.94,-33.61,;20.94,-35.15,;22.28,-35.93,;23.61,-35.14,;23.6,-33.61,;22.28,-32.85,;22.28,-31.31,;19.63,-26.68,;18.29,-25.92,;18.3,-24.38,;19.63,-23.6,;20.97,-24.38,;22.3,-23.6,;23.63,-24.37,;24.96,-23.6,;26.29,-24.37,;27.63,-23.59,;28.97,-24.36,;27.63,-22.05,;20.96,-25.92,;22.29,-26.69,;19.63,-22.06,;20.96,-21.31,;18.29,-21.31,;16.95,-22.07,;15.62,-21.31,;14.28,-22.07,;12.95,-21.31,;12.95,-19.77,;11.61,-19.01,;14.28,-18.99,;15.61,-19.76,;18.29,-19.77,;19.63,-18.99,;20.97,-19.77,;19.63,-17.45,;20.97,-16.68,;22.31,-17.45,;22.47,-18.98,;23.98,-19.31,;24.76,-17.97,;23.72,-16.82,;18.29,-16.68,;18.29,-15.14,;16.95,-14.37,;19.62,-14.36,)| Show InChI InChI=1S/C39H47FN10O5/c1-24(51)47-31(21-30-22-44-23-46-30)35(52)48-32(19-25-10-13-29(40)14-11-25)37(54)49-16-17-50(38(55)33(49)8-5-15-45-39(41)42)34(36(53)43-2)20-26-9-12-27-6-3-4-7-28(27)18-26/h3-4,6-7,9-14,18,22-23,31-34H,5,8,15-17,19-21H2,1-2H3,(H,43,53)(H,44,46)(H,47,51)(H,48,52)(H4,41,42,45)/t31-,32+,33-,34-/m0/s1 | PDB
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| 2 | 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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189025
((S)-2-acetamido-N1-((R)-3-(4-fluorophenyl)-1-((S)-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O Show InChI InChI=1S/C38H48FN9O6/c1-23(49)45-29(15-16-33(40)50)34(51)46-30(21-24-10-13-28(39)14-11-24)36(53)47-18-19-48(37(54)31(47)8-5-17-44-38(41)42)32(35(52)43-2)22-25-9-12-26-6-3-4-7-27(26)20-25/h3-4,6-7,9-14,20,29-32H,5,8,15-19,21-22H2,1-2H3,(H2,40,50)(H,43,52)(H,45,49)(H,46,51)(H4,41,42,44)/t29-,30+,31-,32-/m0/s1 | PDB
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| 3.30 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189023
((S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)N1CCNCC1 Show InChI InChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1 | PDB
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| 4.30 | 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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189022
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.44,44.55,(15.61,-28.99,;16.95,-28.22,;18.29,-29,;18.28,-30.54,;19.62,-28.23,;20.95,-29.01,;20.95,-30.55,;19.61,-31.31,;19.61,-32.85,;20.94,-33.61,;20.94,-35.15,;22.28,-35.93,;23.61,-35.14,;23.6,-33.61,;22.28,-32.85,;22.28,-31.31,;19.63,-26.68,;18.29,-25.92,;18.3,-24.38,;19.63,-23.6,;20.97,-24.38,;22.3,-23.6,;23.63,-24.37,;24.96,-23.6,;26.29,-24.37,;27.63,-23.59,;28.97,-24.36,;27.63,-22.05,;20.96,-25.92,;22.29,-26.69,;19.63,-22.06,;20.96,-21.31,;18.29,-21.31,;16.95,-22.07,;15.62,-21.31,;14.28,-22.07,;12.95,-21.31,;12.95,-19.77,;11.61,-19.01,;14.28,-18.99,;15.61,-19.76,;18.29,-19.77,;19.63,-18.99,;20.97,-19.77,;19.63,-17.45,;20.97,-16.68,;22.31,-17.45,;22.47,-18.98,;23.98,-19.31,;24.76,-17.97,;23.72,-16.82,;18.29,-16.68,;18.29,-15.14,;16.95,-14.37,;19.62,-14.36,)| Show InChI InChI=1S/C39H47FN10O5/c1-24(51)47-31(21-30-22-44-23-46-30)35(52)48-32(19-25-10-13-29(40)14-11-25)37(54)49-16-17-50(38(55)33(49)8-5-15-45-39(41)42)34(36(53)43-2)20-26-9-12-27-6-3-4-7-28(27)18-26/h3-4,6-7,9-14,18,22-23,31-34H,5,8,15-17,19-21H2,1-2H3,(H,43,53)(H,44,46)(H,47,51)(H,48,52)(H4,41,42,45)/t31-,32+,33-,34-/m0/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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189009
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1 | PDB
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| 5.30 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189011
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1 | PDB
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| 5.70 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189021
(CHEMBL215895 | N-((R)-3-(4-fluorophenyl)-1-((S)-2-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1Cc2ccccc2CN1 Show InChI InChI=1S/C41H47FN8O4/c1-45-38(52)36(23-27-12-15-28-7-2-3-8-29(28)21-27)50-20-19-49(35(40(50)54)11-6-18-46-41(43)44)39(53)34(22-26-13-16-32(42)17-14-26)48-37(51)33-24-30-9-4-5-10-31(30)25-47-33/h2-5,7-10,12-17,21,33-36,47H,6,11,18-20,22-25H2,1H3,(H,45,52)(H,48,51)(H4,43,44,46)/t33?,34-,35+,36+/m1/s1 | PDB
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| 6 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189019
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1 | PDB
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| 7 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189014
((S)-2-((S)-4-((R)-2-acetamido-3-(4-fluorophenyl)pr...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O Show InChI InChI=1S/C33H40FN7O4/c1-21(42)39-27(19-22-10-13-26(34)14-11-22)31(44)40-16-17-41(32(45)28(40)8-5-15-38-33(35)36)29(30(43)37-2)20-23-9-12-24-6-3-4-7-25(24)18-23/h3-4,6-7,9-14,18,27-29H,5,8,15-17,19-20H2,1-2H3,(H,37,43)(H,39,42)(H4,35,36,38)/t27-,28+,29+/m1/s1 | PDB
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| 7 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189008
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H36FN7O3/c1-35-27(39)26(18-20-6-9-21-4-2-3-5-22(21)16-20)38-15-14-37(25(29(38)41)12-13-36-30(33)34)28(40)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,35,39)(H4,33,34,36)/t24-,25+,26+/m1/s1 | PDB
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| 11 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189018
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:4.17,wD:30.40,41.51,19.28,(25,.39,;23.66,1.16,;22.33,.39,;22.33,-1.16,;20.99,1.16,;20.99,2.69,;22.33,3.47,;23.66,2.69,;24.99,3.46,;25,5,;26.33,5.78,;26.33,7.33,;24.97,8.09,;23.64,7.31,;23.65,5.77,;22.33,5,;19.66,.39,;18.33,1.16,;18.33,2.69,;16.99,.39,;16.99,-1.16,;18.33,-1.92,;18.33,-3.47,;19.66,-4.23,;19.66,-5.77,;20.99,-6.54,;18.33,-6.54,;15.66,1.16,;14.33,.39,;14.33,-1.16,;12.99,1.16,;12.99,2.69,;14.33,3.47,;15.66,2.69,;16.99,3.46,;16.99,5,;15.65,5.77,;14.32,4.99,;11.66,.39,;10.32,1.16,;10.32,2.69,;8.99,.39,;8.99,-1.16,;10.32,-1.93,;10.29,-3.46,;11.75,-3.97,;12.68,-2.74,;11.8,-1.47,;7.66,1.16,;6.32,.39,;4.99,1.16,;6.32,-1.16,)| Show InChI InChI=1S/C37H46N10O5/c1-23(48)44-32(20-28-21-41-22-43-28)36(52)47-31(18-24-9-4-3-5-10-24)35(51)45-29(13-8-16-42-37(38)39)34(50)46-30(33(49)40-2)19-25-14-15-26-11-6-7-12-27(26)17-25/h3-7,9-12,14-15,17,21-22,29-32H,8,13,16,18-20H2,1-2H3,(H,40,49)(H,41,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,42)/t29-,30-,31+,32-/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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189024
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H49FN8O6/c1-26(52)48-34(23-28-12-17-33(53)18-13-28)38(54)49-35(24-27-10-15-32(43)16-11-27)40(56)50-20-21-51(41(57)36(50)8-5-19-47-42(44)45)37(39(55)46-2)25-29-9-14-30-6-3-4-7-31(30)22-29/h3-4,6-7,9-18,22,34-37,53H,5,8,19-21,23-25H2,1-2H3,(H,46,55)(H,48,52)(H,49,54)(H4,44,45,47)/t34-,35+,36-,37-/m0/s1 | PDB
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| 14 | 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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189023
((S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)N1CCNCC1 Show InChI InChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1 | PDB
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| 17 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189014
((S)-2-((S)-4-((R)-2-acetamido-3-(4-fluorophenyl)pr...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O Show InChI InChI=1S/C33H40FN7O4/c1-21(42)39-27(19-22-10-13-26(34)14-11-22)31(44)40-16-17-41(32(45)28(40)8-5-15-38-33(35)36)29(30(43)37-2)20-23-9-12-24-6-3-4-7-25(24)18-23/h3-4,6-7,9-14,18,27-29H,5,8,15-17,19-20H2,1-2H3,(H,37,43)(H,39,42)(H4,35,36,38)/t27-,28+,29+/m1/s1 | PDB
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| 18 | 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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189018
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:4.17,wD:30.40,41.51,19.28,(25,.39,;23.66,1.16,;22.33,.39,;22.33,-1.16,;20.99,1.16,;20.99,2.69,;22.33,3.47,;23.66,2.69,;24.99,3.46,;25,5,;26.33,5.78,;26.33,7.33,;24.97,8.09,;23.64,7.31,;23.65,5.77,;22.33,5,;19.66,.39,;18.33,1.16,;18.33,2.69,;16.99,.39,;16.99,-1.16,;18.33,-1.92,;18.33,-3.47,;19.66,-4.23,;19.66,-5.77,;20.99,-6.54,;18.33,-6.54,;15.66,1.16,;14.33,.39,;14.33,-1.16,;12.99,1.16,;12.99,2.69,;14.33,3.47,;15.66,2.69,;16.99,3.46,;16.99,5,;15.65,5.77,;14.32,4.99,;11.66,.39,;10.32,1.16,;10.32,2.69,;8.99,.39,;8.99,-1.16,;10.32,-1.93,;10.29,-3.46,;11.75,-3.97,;12.68,-2.74,;11.8,-1.47,;7.66,1.16,;6.32,.39,;4.99,1.16,;6.32,-1.16,)| Show InChI InChI=1S/C37H46N10O5/c1-23(48)44-32(20-28-21-41-22-43-28)36(52)47-31(18-24-9-4-3-5-10-24)35(51)45-29(13-8-16-42-37(38)39)34(50)46-30(33(49)40-2)19-25-14-15-26-11-6-7-12-27(26)17-25/h3-7,9-12,14-15,17,21-22,29-32H,8,13,16,18-20H2,1-2H3,(H,40,49)(H,41,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,42)/t29-,30-,31+,32-/m0/s1 | PDB
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| 29 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189022
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.44,44.55,(15.61,-28.99,;16.95,-28.22,;18.29,-29,;18.28,-30.54,;19.62,-28.23,;20.95,-29.01,;20.95,-30.55,;19.61,-31.31,;19.61,-32.85,;20.94,-33.61,;20.94,-35.15,;22.28,-35.93,;23.61,-35.14,;23.6,-33.61,;22.28,-32.85,;22.28,-31.31,;19.63,-26.68,;18.29,-25.92,;18.3,-24.38,;19.63,-23.6,;20.97,-24.38,;22.3,-23.6,;23.63,-24.37,;24.96,-23.6,;26.29,-24.37,;27.63,-23.59,;28.97,-24.36,;27.63,-22.05,;20.96,-25.92,;22.29,-26.69,;19.63,-22.06,;20.96,-21.31,;18.29,-21.31,;16.95,-22.07,;15.62,-21.31,;14.28,-22.07,;12.95,-21.31,;12.95,-19.77,;11.61,-19.01,;14.28,-18.99,;15.61,-19.76,;18.29,-19.77,;19.63,-18.99,;20.97,-19.77,;19.63,-17.45,;20.97,-16.68,;22.31,-17.45,;22.47,-18.98,;23.98,-19.31,;24.76,-17.97,;23.72,-16.82,;18.29,-16.68,;18.29,-15.14,;16.95,-14.37,;19.62,-14.36,)| Show InChI InChI=1S/C39H47FN10O5/c1-24(51)47-31(21-30-22-44-23-46-30)35(52)48-32(19-25-10-13-29(40)14-11-25)37(54)49-16-17-50(38(55)33(49)8-5-15-45-39(41)42)34(36(53)43-2)20-26-9-12-27-6-3-4-7-28(27)18-26/h3-4,6-7,9-14,18,22-23,31-34H,5,8,15-17,19-21H2,1-2H3,(H,43,53)(H,44,46)(H,47,51)(H,48,52)(H4,41,42,45)/t31-,32+,33-,34-/m0/s1 | PDB
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| 35 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189019
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1 | PDB
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| 75 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189017
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1 | PDB
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| 189 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189009
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1 | PDB
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| 206 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189012
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)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](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1 | PDB
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| 225 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189011
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1 | PDB
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| 239 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189015
(1-(3-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 Show InChI InChI=1S/C31H37FN6O4/c1-35-28(39)27(19-21-8-11-22-5-2-3-6-23(22)17-21)38-16-15-37(26(30(38)41)7-4-14-36-31(34)42)29(40)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,35,39)(H3,34,36,42)/t25-,26+,27+/m1/s1 | PDB
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| 261 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189021
(CHEMBL215895 | N-((R)-3-(4-fluorophenyl)-1-((S)-2-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1Cc2ccccc2CN1 Show InChI InChI=1S/C41H47FN8O4/c1-45-38(52)36(23-27-12-15-28-7-2-3-8-29(28)21-27)50-20-19-49(35(40(50)54)11-6-18-46-41(43)44)39(53)34(22-26-13-16-32(42)17-14-26)48-37(51)33-24-30-9-4-5-10-31(30)25-47-33/h2-5,7-10,12-17,21,33-36,47H,6,11,18-20,22-25H2,1H3,(H,45,52)(H,48,51)(H4,43,44,46)/t33?,34-,35+,36+/m1/s1 | PDB
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| 313 | 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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189021
(CHEMBL215895 | N-((R)-3-(4-fluorophenyl)-1-((S)-2-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1Cc2ccccc2CN1 Show InChI InChI=1S/C41H47FN8O4/c1-45-38(52)36(23-27-12-15-28-7-2-3-8-29(28)21-27)50-20-19-49(35(40(50)54)11-6-18-46-41(43)44)39(53)34(22-26-13-16-32(42)17-14-26)48-37(51)33-24-30-9-4-5-10-31(30)25-47-33/h2-5,7-10,12-17,21,33-36,47H,6,11,18-20,22-25H2,1H3,(H,45,52)(H,48,51)(H4,43,44,46)/t33?,34-,35+,36+/m1/s1 | PDB
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| 352 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189016
(1-(2-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 Show InChI InChI=1S/C30H35FN6O4/c1-34-27(38)26(18-20-6-9-21-4-2-3-5-22(21)16-20)37-15-14-36(25(29(37)40)12-13-35-30(33)41)28(39)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,34,38)(H3,33,35,41)/t24-,25+,26+/m1/s1 | PDB
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| 365 | 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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189019
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1 | PDB
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| 366 | 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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189015
(1-(3-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 Show InChI InChI=1S/C31H37FN6O4/c1-35-28(39)27(19-21-8-11-22-5-2-3-6-23(22)17-21)38-16-15-37(26(30(38)41)7-4-14-36-31(34)42)29(40)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,35,39)(H3,34,36,42)/t25-,26+,27+/m1/s1 | PDB
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| 461 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189008
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H36FN7O3/c1-35-27(39)26(18-20-6-9-21-4-2-3-5-22(21)16-20)38-15-14-37(25(29(38)41)12-13-36-30(33)34)28(40)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,35,39)(H4,33,34,36)/t24-,25+,26+/m1/s1 | PDB
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| 470 | 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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189011
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1 | PDB
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| 659 | 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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189009
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1 | PDB
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| 958 | 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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189008
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H36FN7O3/c1-35-27(39)26(18-20-6-9-21-4-2-3-5-22(21)16-20)38-15-14-37(25(29(38)41)12-13-36-30(33)34)28(40)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,35,39)(H4,33,34,36)/t24-,25+,26+/m1/s1 | PDB
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| 1.12E+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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189012
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)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](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1 | PDB
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| 1.14E+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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189018
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:4.17,wD:30.40,41.51,19.28,(25,.39,;23.66,1.16,;22.33,.39,;22.33,-1.16,;20.99,1.16,;20.99,2.69,;22.33,3.47,;23.66,2.69,;24.99,3.46,;25,5,;26.33,5.78,;26.33,7.33,;24.97,8.09,;23.64,7.31,;23.65,5.77,;22.33,5,;19.66,.39,;18.33,1.16,;18.33,2.69,;16.99,.39,;16.99,-1.16,;18.33,-1.92,;18.33,-3.47,;19.66,-4.23,;19.66,-5.77,;20.99,-6.54,;18.33,-6.54,;15.66,1.16,;14.33,.39,;14.33,-1.16,;12.99,1.16,;12.99,2.69,;14.33,3.47,;15.66,2.69,;16.99,3.46,;16.99,5,;15.65,5.77,;14.32,4.99,;11.66,.39,;10.32,1.16,;10.32,2.69,;8.99,.39,;8.99,-1.16,;10.32,-1.93,;10.29,-3.46,;11.75,-3.97,;12.68,-2.74,;11.8,-1.47,;7.66,1.16,;6.32,.39,;4.99,1.16,;6.32,-1.16,)| Show InChI InChI=1S/C37H46N10O5/c1-23(48)44-32(20-28-21-41-22-43-28)36(52)47-31(18-24-9-4-3-5-10-24)35(51)45-29(13-8-16-42-37(38)39)34(50)46-30(33(49)40-2)19-25-14-15-26-11-6-7-12-27(26)17-25/h3-7,9-12,14-15,17,21-22,29-32H,8,13,16,18-20H2,1-2H3,(H,40,49)(H,41,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,42)/t29-,30-,31+,32-/m0/s1 | PDB
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| 1.20E+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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189020
(CHEMBL387246 | 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](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C29H37N7O3/c1-33-27(38)25(18-20-13-14-21-10-5-6-11-22(21)16-20)36-28(39)24(12-7-15-34-29(31)32)35-26(37)23(30)17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,23-25H,7,12,15,17-18,30H2,1H3,(H,33,38)(H,35,37)(H,36,39)(H4,31,32,34)/t23-,24+,25+/m1/s1 | PDB
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| 1.25E+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 human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189015
(1-(3-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 Show InChI InChI=1S/C31H37FN6O4/c1-35-28(39)27(19-21-8-11-22-5-2-3-6-23(22)17-21)38-16-15-37(26(30(38)41)7-4-14-36-31(34)42)29(40)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,35,39)(H3,34,36,42)/t25-,26+,27+/m1/s1 | PDB
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| 2.13E+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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189012
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)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](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1 | PDB
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| 4.06E+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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189017
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1 | PDB
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Similars
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| 4.12E+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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189020
(CHEMBL387246 | 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](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C29H37N7O3/c1-33-27(38)25(18-20-13-14-21-10-5-6-11-22(21)16-20)36-28(39)24(12-7-15-34-29(31)32)35-26(37)23(30)17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,23-25H,7,12,15,17-18,30H2,1H3,(H,33,38)(H,35,37)(H,36,39)(H4,31,32,34)/t23-,24+,25+/m1/s1 | PDB
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| 4.38E+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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189017
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1 | PDB
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| 5.82E+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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189016
(1-(2-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 Show InChI InChI=1S/C30H35FN6O4/c1-34-27(38)26(18-20-6-9-21-4-2-3-5-22(21)16-20)37-15-14-36(25(29(37)40)12-13-35-30(33)41)28(39)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,34,38)(H3,33,35,41)/t24-,25+,26+/m1/s1 | PDB
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| 6.11E+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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189016
(1-(2-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 Show InChI InChI=1S/C30H35FN6O4/c1-34-27(38)26(18-20-6-9-21-4-2-3-5-22(21)16-20)37-15-14-36(25(29(37)40)12-13-35-30(33)41)28(39)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,34,38)(H3,33,35,41)/t24-,25+,26+/m1/s1 | PDB
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| 2.17E+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 human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189020
(CHEMBL387246 | 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](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C29H37N7O3/c1-33-27(38)25(18-20-13-14-21-10-5-6-11-22(21)16-20)36-28(39)24(12-7-15-34-29(31)32)35-26(37)23(30)17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,23-25H,7,12,15,17-18,30H2,1H3,(H,33,38)(H,35,37)(H,36,39)(H4,31,32,34)/t23-,24+,25+/m1/s1 | PDB
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| 2.26E+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 human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
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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| n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189025
((S)-2-acetamido-N1-((R)-3-(4-fluorophenyl)-1-((S)-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O Show InChI InChI=1S/C38H48FN9O6/c1-23(49)45-29(15-16-33(40)50)34(51)46-30(21-24-10-13-28(39)14-11-24)36(53)47-18-19-48(37(54)31(47)8-5-17-44-38(41)42)32(35(52)43-2)22-25-9-12-26-6-3-4-7-27(26)20-25/h3-4,6-7,9-14,20,29-32H,5,8,15-19,21-22H2,1-2H3,(H2,40,50)(H,43,52)(H,45,49)(H,46,51)(H4,41,42,44)/t29-,30+,31-,32-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189025
((S)-2-acetamido-N1-((R)-3-(4-fluorophenyl)-1-((S)-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O Show InChI InChI=1S/C38H48FN9O6/c1-23(49)45-29(15-16-33(40)50)34(51)46-30(21-24-10-13-28(39)14-11-24)36(53)47-18-19-48(37(54)31(47)8-5-17-44-38(41)42)32(35(52)43-2)22-25-9-12-26-6-3-4-7-27(26)20-25/h3-4,6-7,9-14,20,29-32H,5,8,15-19,21-22H2,1-2H3,(H2,40,50)(H,43,52)(H,45,49)(H,46,51)(H4,41,42,44)/t29-,30+,31-,32-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.340 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189021
(CHEMBL215895 | N-((R)-3-(4-fluorophenyl)-1-((S)-2-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1Cc2ccccc2CN1 Show InChI InChI=1S/C41H47FN8O4/c1-45-38(52)36(23-27-12-15-28-7-2-3-8-29(28)21-27)50-20-19-49(35(40(50)54)11-6-18-46-41(43)44)39(53)34(22-26-13-16-32(42)17-14-26)48-37(51)33-24-30-9-4-5-10-31(30)25-47-33/h2-5,7-10,12-17,21,33-36,47H,6,11,18-20,22-25H2,1H3,(H,45,52)(H,48,51)(H4,43,44,46)/t33?,34-,35+,36+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189010
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H50N8O6/c1-27(51)47-34(24-29-15-18-33(52)19-16-29)38(53)48-35(25-28-9-4-3-5-10-28)40(55)49-21-22-50(41(56)36(49)13-8-20-46-42(43)44)37(39(54)45-2)26-30-14-17-31-11-6-7-12-32(31)23-30/h3-7,9-12,14-19,23,34-37,52H,8,13,20-22,24-26H2,1-2H3,(H,45,54)(H,47,51)(H,48,53)(H4,43,44,46)/t34-,35+,36-,37-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189008
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H36FN7O3/c1-35-27(39)26(18-20-6-9-21-4-2-3-5-22(21)16-20)38-15-14-37(25(29(38)41)12-13-36-30(33)34)28(40)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,35,39)(H4,33,34,36)/t24-,25+,26+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 353 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189016
(1-(2-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 Show InChI InChI=1S/C30H35FN6O4/c1-34-27(38)26(18-20-6-9-21-4-2-3-5-22(21)16-20)37-15-14-36(25(29(37)40)12-13-35-30(33)41)28(39)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,34,38)(H3,33,35,41)/t24-,25+,26+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
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 activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189009
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189013
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)| Show InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35(51)47-32(20-26-9-4-3-5-10-26)37(53)48-17-18-49(38(54)33(48)13-8-16-44-39(40)41)34(36(52)42-2)21-27-14-15-28-11-6-7-12-29(28)19-27/h3-7,9-12,14-15,19,23-24,31-34H,8,13,16-18,20-22H2,1-2H3,(H,42,52)(H,43,45)(H,46,50)(H,47,51)(H4,40,41,44)/t31-,32+,33-,34-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189011
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189024
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H49FN8O6/c1-26(52)48-34(23-28-12-17-33(53)18-13-28)38(54)49-35(24-27-10-15-32(43)16-11-27)40(56)50-20-21-51(41(57)36(50)8-5-19-47-42(44)45)37(39(55)46-2)25-29-9-14-30-6-3-4-7-31(30)22-29/h3-4,6-7,9-18,22,34-37,53H,5,8,19-21,23-25H2,1-2H3,(H,46,55)(H,48,52)(H,49,54)(H4,44,45,47)/t34-,35+,36-,37-/m0/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189025
((S)-2-acetamido-N1-((R)-3-(4-fluorophenyl)-1-((S)-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O Show InChI InChI=1S/C38H48FN9O6/c1-23(49)45-29(15-16-33(40)50)34(51)46-30(21-24-10-13-28(39)14-11-24)36(53)47-18-19-48(37(54)31(47)8-5-17-44-38(41)42)32(35(52)43-2)22-25-9-12-26-6-3-4-7-27(26)20-25/h3-4,6-7,9-14,20,29-32H,5,8,15-19,21-22H2,1-2H3,(H2,40,50)(H,43,52)(H,45,49)(H,46,51)(H4,41,42,44)/t29-,30+,31-,32-/m0/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189021
(CHEMBL215895 | N-((R)-3-(4-fluorophenyl)-1-((S)-2-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1Cc2ccccc2CN1 Show InChI InChI=1S/C41H47FN8O4/c1-45-38(52)36(23-27-12-15-28-7-2-3-8-29(28)21-27)50-20-19-49(35(40(50)54)11-6-18-46-41(43)44)39(53)34(22-26-13-16-32(42)17-14-26)48-37(51)33-24-30-9-4-5-10-31(30)25-47-33/h2-5,7-10,12-17,21,33-36,47H,6,11,18-20,22-25H2,1H3,(H,45,52)(H,48,51)(H4,43,44,46)/t33?,34-,35+,36+/m1/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189011
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189011
((S)-2-((S)-4-((R)-2-amino-3-phenylpropanoyl)-3-(3-...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C31H39N7O3/c1-35-28(39)27(20-22-13-14-23-10-5-6-11-24(23)18-22)38-17-16-37(26(30(38)41)12-7-15-36-31(33)34)29(40)25(32)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18,25-27H,7,12,15-17,19-20,32H2,1H3,(H,35,39)(H4,33,34,36)/t25-,26+,27+/m1/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189019
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 37 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189020
(CHEMBL387246 | 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](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C29H37N7O3/c1-33-27(38)25(18-20-13-14-21-10-5-6-11-22(21)16-20)36-28(39)24(12-7-15-34-29(31)32)35-26(37)23(30)17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,23-25H,7,12,15,17-18,30H2,1H3,(H,33,38)(H,35,37)(H,36,39)(H4,31,32,34)/t23-,24+,25+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189008
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H36FN7O3/c1-35-27(39)26(18-20-6-9-21-4-2-3-5-22(21)16-20)38-15-14-37(25(29(38)41)12-13-36-30(33)34)28(40)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,35,39)(H4,33,34,36)/t24-,25+,26+/m1/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189018
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:4.17,wD:30.40,41.51,19.28,(25,.39,;23.66,1.16,;22.33,.39,;22.33,-1.16,;20.99,1.16,;20.99,2.69,;22.33,3.47,;23.66,2.69,;24.99,3.46,;25,5,;26.33,5.78,;26.33,7.33,;24.97,8.09,;23.64,7.31,;23.65,5.77,;22.33,5,;19.66,.39,;18.33,1.16,;18.33,2.69,;16.99,.39,;16.99,-1.16,;18.33,-1.92,;18.33,-3.47,;19.66,-4.23,;19.66,-5.77,;20.99,-6.54,;18.33,-6.54,;15.66,1.16,;14.33,.39,;14.33,-1.16,;12.99,1.16,;12.99,2.69,;14.33,3.47,;15.66,2.69,;16.99,3.46,;16.99,5,;15.65,5.77,;14.32,4.99,;11.66,.39,;10.32,1.16,;10.32,2.69,;8.99,.39,;8.99,-1.16,;10.32,-1.93,;10.29,-3.46,;11.75,-3.97,;12.68,-2.74,;11.8,-1.47,;7.66,1.16,;6.32,.39,;4.99,1.16,;6.32,-1.16,)| Show InChI InChI=1S/C37H46N10O5/c1-23(48)44-32(20-28-21-41-22-43-28)36(52)47-31(18-24-9-4-3-5-10-24)35(51)45-29(13-8-16-42-37(38)39)34(50)46-30(33(49)40-2)19-25-14-15-26-11-6-7-12-27(26)17-25/h3-7,9-12,14-15,17,21-22,29-32H,8,13,16,18-20H2,1-2H3,(H,40,49)(H,41,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,42)/t29-,30-,31+,32-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189024
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H49FN8O6/c1-26(52)48-34(23-28-12-17-33(53)18-13-28)38(54)49-35(24-27-10-15-32(43)16-11-27)40(56)50-20-21-51(41(57)36(50)8-5-19-47-42(44)45)37(39(55)46-2)25-29-9-14-30-6-3-4-7-31(30)22-29/h3-4,6-7,9-18,22,34-37,53H,5,8,19-21,23-25H2,1-2H3,(H,46,55)(H,48,52)(H,49,54)(H4,44,45,47)/t34-,35+,36-,37-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189019
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 317 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189012
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)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](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189013
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)| Show InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35(51)47-32(20-26-9-4-3-5-10-26)37(53)48-17-18-49(38(54)33(48)13-8-16-44-39(40)41)34(36(52)42-2)21-27-14-15-28-11-6-7-12-29(28)19-27/h3-7,9-12,14-15,19,23-24,31-34H,8,13,16-18,20-22H2,1-2H3,(H,42,52)(H,43,45)(H,46,50)(H,47,51)(H4,40,41,44)/t31-,32+,33-,34-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189018
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:4.17,wD:30.40,41.51,19.28,(25,.39,;23.66,1.16,;22.33,.39,;22.33,-1.16,;20.99,1.16,;20.99,2.69,;22.33,3.47,;23.66,2.69,;24.99,3.46,;25,5,;26.33,5.78,;26.33,7.33,;24.97,8.09,;23.64,7.31,;23.65,5.77,;22.33,5,;19.66,.39,;18.33,1.16,;18.33,2.69,;16.99,.39,;16.99,-1.16,;18.33,-1.92,;18.33,-3.47,;19.66,-4.23,;19.66,-5.77,;20.99,-6.54,;18.33,-6.54,;15.66,1.16,;14.33,.39,;14.33,-1.16,;12.99,1.16,;12.99,2.69,;14.33,3.47,;15.66,2.69,;16.99,3.46,;16.99,5,;15.65,5.77,;14.32,4.99,;11.66,.39,;10.32,1.16,;10.32,2.69,;8.99,.39,;8.99,-1.16,;10.32,-1.93,;10.29,-3.46,;11.75,-3.97,;12.68,-2.74,;11.8,-1.47,;7.66,1.16,;6.32,.39,;4.99,1.16,;6.32,-1.16,)| Show InChI InChI=1S/C37H46N10O5/c1-23(48)44-32(20-28-21-41-22-43-28)36(52)47-31(18-24-9-4-3-5-10-24)35(51)45-29(13-8-16-42-37(38)39)34(50)46-30(33(49)40-2)19-25-14-15-26-11-6-7-12-27(26)17-25/h3-7,9-12,14-15,17,21-22,29-32H,8,13,16,18-20H2,1-2H3,(H,40,49)(H,41,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,42)/t29-,30-,31+,32-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189018
((S)-2-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-y...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:4.17,wD:30.40,41.51,19.28,(25,.39,;23.66,1.16,;22.33,.39,;22.33,-1.16,;20.99,1.16,;20.99,2.69,;22.33,3.47,;23.66,2.69,;24.99,3.46,;25,5,;26.33,5.78,;26.33,7.33,;24.97,8.09,;23.64,7.31,;23.65,5.77,;22.33,5,;19.66,.39,;18.33,1.16,;18.33,2.69,;16.99,.39,;16.99,-1.16,;18.33,-1.92,;18.33,-3.47,;19.66,-4.23,;19.66,-5.77,;20.99,-6.54,;18.33,-6.54,;15.66,1.16,;14.33,.39,;14.33,-1.16,;12.99,1.16,;12.99,2.69,;14.33,3.47,;15.66,2.69,;16.99,3.46,;16.99,5,;15.65,5.77,;14.32,4.99,;11.66,.39,;10.32,1.16,;10.32,2.69,;8.99,.39,;8.99,-1.16,;10.32,-1.93,;10.29,-3.46,;11.75,-3.97,;12.68,-2.74,;11.8,-1.47,;7.66,1.16,;6.32,.39,;4.99,1.16,;6.32,-1.16,)| Show InChI InChI=1S/C37H46N10O5/c1-23(48)44-32(20-28-21-41-22-43-28)36(52)47-31(18-24-9-4-3-5-10-24)35(51)45-29(13-8-16-42-37(38)39)34(50)46-30(33(49)40-2)19-25-14-15-26-11-6-7-12-27(26)17-25/h3-7,9-12,14-15,17,21-22,29-32H,8,13,16,18-20H2,1-2H3,(H,40,49)(H,41,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,42)/t29-,30-,31+,32-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 541 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189014
((S)-2-((S)-4-((R)-2-acetamido-3-(4-fluorophenyl)pr...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O Show InChI InChI=1S/C33H40FN7O4/c1-21(42)39-27(19-22-10-13-26(34)14-11-22)31(44)40-16-17-41(32(45)28(40)8-5-15-38-33(35)36)29(30(43)37-2)20-23-9-12-24-6-3-4-7-25(24)18-23/h3-4,6-7,9-14,18,27-29H,5,8,15-17,19-20H2,1-2H3,(H,37,43)(H,39,42)(H4,35,36,38)/t27-,28+,29+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189013
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)| Show InChI InChI=1S/C39H48N10O5/c1-25(50)46-31(22-30-23-43-24-45-30)35(51)47-32(20-26-9-4-3-5-10-26)37(53)48-17-18-49(38(54)33(48)13-8-16-44-39(40)41)34(36(52)42-2)21-27-14-15-28-11-6-7-12-29(28)19-27/h3-7,9-12,14-15,19,23-24,31-34H,8,13,16-18,20-22H2,1-2H3,(H,42,52)(H,43,45)(H,46,50)(H,47,51)(H4,40,41,44)/t31-,32+,33-,34-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189010
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H50N8O6/c1-27(51)47-34(24-29-15-18-33(52)19-16-29)38(53)48-35(25-28-9-4-3-5-10-28)40(55)49-21-22-50(41(56)36(49)13-8-20-46-42(43)44)37(39(54)45-2)26-30-14-17-31-11-6-7-12-32(31)23-30/h3-7,9-12,14-19,23,34-37,52H,8,13,20-22,24-26H2,1-2H3,(H,45,54)(H,47,51)(H,48,53)(H4,43,44,46)/t34-,35+,36-,37-/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189023
((S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)N1CCNCC1 Show InChI InChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189022
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.44,44.55,(15.61,-28.99,;16.95,-28.22,;18.29,-29,;18.28,-30.54,;19.62,-28.23,;20.95,-29.01,;20.95,-30.55,;19.61,-31.31,;19.61,-32.85,;20.94,-33.61,;20.94,-35.15,;22.28,-35.93,;23.61,-35.14,;23.6,-33.61,;22.28,-32.85,;22.28,-31.31,;19.63,-26.68,;18.29,-25.92,;18.3,-24.38,;19.63,-23.6,;20.97,-24.38,;22.3,-23.6,;23.63,-24.37,;24.96,-23.6,;26.29,-24.37,;27.63,-23.59,;28.97,-24.36,;27.63,-22.05,;20.96,-25.92,;22.29,-26.69,;19.63,-22.06,;20.96,-21.31,;18.29,-21.31,;16.95,-22.07,;15.62,-21.31,;14.28,-22.07,;12.95,-21.31,;12.95,-19.77,;11.61,-19.01,;14.28,-18.99,;15.61,-19.76,;18.29,-19.77,;19.63,-18.99,;20.97,-19.77,;19.63,-17.45,;20.97,-16.68,;22.31,-17.45,;22.47,-18.98,;23.98,-19.31,;24.76,-17.97,;23.72,-16.82,;18.29,-16.68,;18.29,-15.14,;16.95,-14.37,;19.62,-14.36,)| Show InChI InChI=1S/C39H47FN10O5/c1-24(51)47-31(21-30-22-44-23-46-30)35(52)48-32(19-25-10-13-29(40)14-11-25)37(54)49-16-17-50(38(55)33(49)8-5-15-45-39(41)42)34(36(53)43-2)20-26-9-12-27-6-3-4-7-28(27)18-26/h3-4,6-7,9-14,18,22-23,31-34H,5,8,15-17,19-21H2,1-2H3,(H,43,53)(H,44,46)(H,47,51)(H,48,52)(H4,41,42,45)/t31-,32+,33-,34-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189024
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H49FN8O6/c1-26(52)48-34(23-28-12-17-33(53)18-13-28)38(54)49-35(24-27-10-15-32(43)16-11-27)40(56)50-20-21-51(41(57)36(50)8-5-19-47-42(44)45)37(39(55)46-2)25-29-9-14-30-6-3-4-7-31(30)22-29/h3-4,6-7,9-18,22,34-37,53H,5,8,19-21,23-25H2,1-2H3,(H,46,55)(H,48,52)(H,49,54)(H4,44,45,47)/t34-,35+,36-,37-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 8.70 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189012
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)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](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.17E+4 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189020
(CHEMBL387246 | 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](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C29H37N7O3/c1-33-27(38)25(18-20-13-14-21-10-5-6-11-22(21)16-20)36-28(39)24(12-7-15-34-29(31)32)35-26(37)23(30)17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,23-25H,7,12,15,17-18,30H2,1H3,(H,33,38)(H,35,37)(H,36,39)(H4,31,32,34)/t23-,24+,25+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 809 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189015
(1-(3-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 Show InChI InChI=1S/C31H37FN6O4/c1-35-28(39)27(19-21-8-11-22-5-2-3-6-23(22)17-21)38-16-15-37(26(30(38)41)7-4-14-36-31(34)42)29(40)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,35,39)(H3,34,36,42)/t25-,26+,27+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189014
((S)-2-((S)-4-((R)-2-acetamido-3-(4-fluorophenyl)pr...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O Show InChI InChI=1S/C33H40FN7O4/c1-21(42)39-27(19-22-10-13-26(34)14-11-22)31(44)40-16-17-41(32(45)28(40)8-5-15-38-33(35)36)29(30(43)37-2)20-23-9-12-24-6-3-4-7-25(24)18-23/h3-4,6-7,9-14,18,27-29H,5,8,15-17,19-20H2,1-2H3,(H,37,43)(H,39,42)(H4,35,36,38)/t27-,28+,29+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189012
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)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](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189023
((S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)N1CCNCC1 Show InChI InChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 5.60 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189017
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189021
(CHEMBL215895 | N-((R)-3-(4-fluorophenyl)-1-((S)-2-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1Cc2ccccc2CN1 Show InChI InChI=1S/C41H47FN8O4/c1-45-38(52)36(23-27-12-15-28-7-2-3-8-29(28)21-27)50-20-19-49(35(40(50)54)11-6-18-46-41(43)44)39(53)34(22-26-13-16-32(42)17-14-26)48-37(51)33-24-30-9-4-5-10-31(30)25-47-33/h2-5,7-10,12-17,21,33-36,47H,6,11,18-20,22-25H2,1H3,(H,45,52)(H,48,51)(H4,43,44,46)/t33?,34-,35+,36+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 163 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189023
((S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)N1CCNCC1 Show InChI InChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189010
((S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(4-hydrox...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O Show InChI InChI=1S/C42H50N8O6/c1-27(51)47-34(24-29-15-18-33(52)19-16-29)38(53)48-35(25-28-9-4-3-5-10-28)40(55)49-21-22-50(41(56)36(49)13-8-20-46-42(43)44)37(39(54)45-2)26-30-14-17-31-11-6-7-12-32(31)23-30/h3-7,9-12,14-19,23,34-37,52H,8,13,20-22,24-26H2,1-2H3,(H,45,54)(H,47,51)(H,48,53)(H4,43,44,46)/t34-,35+,36-,37-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189009
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189020
(CHEMBL387246 | 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](-[#7])-[#6]-c1ccccc1 Show InChI InChI=1S/C29H37N7O3/c1-33-27(38)25(18-20-13-14-21-10-5-6-11-22(21)16-20)36-28(39)24(12-7-15-34-29(31)32)35-26(37)23(30)17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,23-25H,7,12,15,17-18,30H2,1H3,(H,33,38)(H,35,37)(H,36,39)(H4,31,32,34)/t23-,24+,25+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189008
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H36FN7O3/c1-35-27(39)26(18-20-6-9-21-4-2-3-5-22(21)16-20)38-15-14-37(25(29(38)41)12-13-36-30(33)34)28(40)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,35,39)(H4,33,34,36)/t24-,25+,26+/m1/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189022
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.44,44.55,(15.61,-28.99,;16.95,-28.22,;18.29,-29,;18.28,-30.54,;19.62,-28.23,;20.95,-29.01,;20.95,-30.55,;19.61,-31.31,;19.61,-32.85,;20.94,-33.61,;20.94,-35.15,;22.28,-35.93,;23.61,-35.14,;23.6,-33.61,;22.28,-32.85,;22.28,-31.31,;19.63,-26.68,;18.29,-25.92,;18.3,-24.38,;19.63,-23.6,;20.97,-24.38,;22.3,-23.6,;23.63,-24.37,;24.96,-23.6,;26.29,-24.37,;27.63,-23.59,;28.97,-24.36,;27.63,-22.05,;20.96,-25.92,;22.29,-26.69,;19.63,-22.06,;20.96,-21.31,;18.29,-21.31,;16.95,-22.07,;15.62,-21.31,;14.28,-22.07,;12.95,-21.31,;12.95,-19.77,;11.61,-19.01,;14.28,-18.99,;15.61,-19.76,;18.29,-19.77,;19.63,-18.99,;20.97,-19.77,;19.63,-17.45,;20.97,-16.68,;22.31,-17.45,;22.47,-18.98,;23.98,-19.31,;24.76,-17.97,;23.72,-16.82,;18.29,-16.68,;18.29,-15.14,;16.95,-14.37,;19.62,-14.36,)| Show InChI InChI=1S/C39H47FN10O5/c1-24(51)47-31(21-30-22-44-23-46-30)35(52)48-32(19-25-10-13-29(40)14-11-25)37(54)49-16-17-50(38(55)33(49)8-5-15-45-39(41)42)34(36(53)43-2)20-26-9-12-27-6-3-4-7-28(27)18-26/h3-4,6-7,9-14,18,22-23,31-34H,5,8,15-17,19-21H2,1-2H3,(H,43,53)(H,44,46)(H,47,51)(H,48,52)(H4,41,42,45)/t31-,32+,33-,34-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189014
((S)-2-((S)-4-((R)-2-acetamido-3-(4-fluorophenyl)pr...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O Show InChI InChI=1S/C33H40FN7O4/c1-21(42)39-27(19-22-10-13-26(34)14-11-22)31(44)40-16-17-41(32(45)28(40)8-5-15-38-33(35)36)29(30(43)37-2)20-23-9-12-24-6-3-4-7-25(24)18-23/h3-4,6-7,9-14,18,27-29H,5,8,15-17,19-20H2,1-2H3,(H,37,43)(H,39,42)(H4,35,36,38)/t27-,28+,29+/m1/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
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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| n/a | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50189009
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/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 activity at human MC3R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50189022
((S)-2-[(S)-4-[(R)-2-[(S)-2-acetylamino-3-(3H-imida...)Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.44,44.55,(15.61,-28.99,;16.95,-28.22,;18.29,-29,;18.28,-30.54,;19.62,-28.23,;20.95,-29.01,;20.95,-30.55,;19.61,-31.31,;19.61,-32.85,;20.94,-33.61,;20.94,-35.15,;22.28,-35.93,;23.61,-35.14,;23.6,-33.61,;22.28,-32.85,;22.28,-31.31,;19.63,-26.68,;18.29,-25.92,;18.3,-24.38,;19.63,-23.6,;20.97,-24.38,;22.3,-23.6,;23.63,-24.37,;24.96,-23.6,;26.29,-24.37,;27.63,-23.59,;28.97,-24.36,;27.63,-22.05,;20.96,-25.92,;22.29,-26.69,;19.63,-22.06,;20.96,-21.31,;18.29,-21.31,;16.95,-22.07,;15.62,-21.31,;14.28,-22.07,;12.95,-21.31,;12.95,-19.77,;11.61,-19.01,;14.28,-18.99,;15.61,-19.76,;18.29,-19.77,;19.63,-18.99,;20.97,-19.77,;19.63,-17.45,;20.97,-16.68,;22.31,-17.45,;22.47,-18.98,;23.98,-19.31,;24.76,-17.97,;23.72,-16.82,;18.29,-16.68,;18.29,-15.14,;16.95,-14.37,;19.62,-14.36,)| Show InChI InChI=1S/C39H47FN10O5/c1-24(51)47-31(21-30-22-44-23-46-30)35(52)48-32(19-25-10-13-29(40)14-11-25)37(54)49-16-17-50(38(55)33(49)8-5-15-45-39(41)42)34(36(53)43-2)20-26-9-12-27-6-3-4-7-28(27)18-26/h3-4,6-7,9-14,18,22-23,31-34H,5,8,15-17,19-21H2,1-2H3,(H,43,53)(H,44,46)(H,47,51)(H,48,52)(H4,41,42,45)/t31-,32+,33-,34-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50189019
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at human MC4R |
Bioorg Med Chem Lett 16: 4668-73 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF |
More data for this
Ligand-Target Pair | |
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