Found 517 hits with Last Name = 'switzer' and Initial = 'ag' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Melanocortin receptor 4
(Homo sapiens (Human)) | 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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PC cid
PC sid
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Similars
| 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 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)) | 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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PC cid
PC sid
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Similars
| 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)) | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50191554
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:28.31,14.14,26.38,wD:4.3,(17.84,3.85,;16.5,3.08,;16.5,1.54,;15.17,3.85,;13.84,3.08,;12.5,3.85,;12.5,5.39,;11.25,6.28,;11.72,7.75,;13.26,7.75,;13.74,6.28,;13.84,1.54,;15.17,.77,;12.5,.77,;12.51,-.77,;11.17,-1.54,;9.84,-.77,;8.5,-1.55,;7.16,-.77,;7.17,.77,;8.49,1.54,;9.83,.78,;13.84,-1.54,;15.17,-.77,;13.84,-3.08,;12.59,-3.99,;13.07,-5.45,;14.61,-5.45,;15.09,-3.98,;16.43,-3.24,;17.75,-4.03,;19.1,-3.28,;20.42,-4.07,;21.77,-3.32,;23.09,-4.11,;21.79,-1.78,;12.17,-6.7,;12.8,-8.1,;12.03,-9.44,;12.8,-10.76,;12.04,-12.1,;10.49,-12.11,;9.73,-13.43,;8.2,-13.44,;7.43,-12.1,;8.2,-10.78,;9.73,-10.78,;10.49,-9.44,)| Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31+,32-,33+/m0/s1 | PDB
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| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells |
J Med Chem 49: 4745-61 (2006)
Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J |
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)) | 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 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)) | 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)) | 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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50191569
((S)-2-Acetamido-N-((R)-1-((2S,4S)-2-(3-guanidinopr...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:28.31,14.14,4.3,wD:26.38,(12.66,3.78,;13.99,3.01,;13.99,1.47,;15.32,3.78,;16.66,3.01,;17.99,3.78,;17.99,5.32,;16.73,6.23,;17.21,7.69,;18.75,7.7,;19.23,6.23,;16.66,1.47,;17.99,.7,;15.33,.7,;15.33,-.84,;14,-1.61,;12.66,-.84,;11.32,-1.61,;9.99,-.84,;9.99,.7,;11.31,1.47,;12.66,.71,;16.66,-1.61,;18,-.84,;16.66,-3.15,;15.42,-4.06,;15.9,-5.52,;17.44,-5.52,;17.91,-4.05,;19.26,-3.3,;20.58,-4.1,;21.92,-3.35,;23.24,-4.14,;24.59,-3.39,;25.91,-4.18,;24.62,-1.85,;14.99,-6.77,;15.62,-8.17,;14.85,-9.51,;15.63,-10.83,;14.87,-12.17,;13.32,-12.18,;12.56,-13.5,;11.03,-13.51,;10.25,-12.17,;11.02,-10.84,;12.55,-10.84,;13.31,-9.51,)| Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32-,33+/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
Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells |
J Med Chem 49: 4745-61 (2006)
Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J |
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 | |
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)) | BDBM50253660
(2-{3-(2-Amino-ethyl-guanidino)-4-[2-amino-3-(4-flu...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 |r,w:22.23| Show InChI InChI=1S/C30H35FN8O3/c1-35-27(40)26(18-20-6-9-21-4-2-3-5-22(21)16-20)39-15-14-38(25(29(39)42)12-13-36-37-30(33)34)28(41)24(32)17-19-7-10-23(31)11-8-19/h2-11,13,16,24-26H,12,14-15,17-18,32H2,1H3,(H,35,40)(H4,33,34,37)/t24-,25+,26+/m1/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
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 | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50253738
(CHEMBL449131 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C36H38FN5O4/c1-3-6-31-36(46)42(32(34(44)38-2)23-25-9-12-26-7-4-5-8-28(26)21-25)20-19-41(31)35(45)30(22-24-10-13-29(37)14-11-24)40-33(43)27-15-17-39-18-16-27/h4-5,7-18,21,30-32H,3,6,19-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1 | PDB
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| 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
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50253736
(CHEMBL506272 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1 |r| Show InChI InChI=1S/C35H40FN5O5/c1-3-6-29-35(46)41(30(33(44)37-2)21-23-9-12-24-7-4-5-8-25(24)19-23)18-17-40(29)34(45)28(20-22-10-13-26(36)14-11-22)39-32(43)27-15-16-31(42)38-27/h4-5,7-14,19,27-30H,3,6,15-18,20-21H2,1-2H3,(H,37,44)(H,38,42)(H,39,43)/t27?,28-,29+,30+/m1/s1 | PDB
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| 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
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
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 | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50191575
((S)-2-acetamido-N-((R)-1-((2R,4R)-2-(3-guanidinopr...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:14.14,26.38,4.3,wD:28.31,(10.98,-16.28,;12.31,-17.05,;12.32,-18.59,;13.65,-16.27,;14.98,-17.04,;16.31,-16.27,;16.31,-14.73,;15.06,-13.83,;15.53,-12.36,;17.07,-12.36,;17.55,-13.82,;14.98,-18.58,;16.32,-19.35,;13.65,-19.35,;13.65,-20.89,;12.32,-21.67,;10.98,-20.9,;9.64,-21.67,;8.31,-20.9,;8.31,-19.35,;9.64,-18.58,;10.98,-19.35,;14.99,-21.66,;16.32,-20.89,;14.99,-23.2,;13.74,-24.11,;14.22,-25.57,;15.76,-25.57,;16.23,-24.11,;17.58,-23.36,;18.9,-24.15,;20.25,-23.4,;21.57,-24.19,;22.91,-23.44,;24.24,-24.24,;22.94,-21.9,;13.31,-26.82,;13.94,-28.23,;13.18,-29.56,;13.95,-30.89,;13.19,-32.22,;11.64,-32.23,;10.88,-33.55,;9.35,-33.56,;8.58,-32.23,;9.34,-30.9,;10.88,-30.9,;11.63,-29.56,)| Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32+,33-/m1/s1 | PDB
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| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells |
J Med Chem 49: 4745-61 (2006)
Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50253748
((2S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1 |r| Show InChI InChI=1S/C36H44FN5O4/c1-3-8-31-36(46)42(32(34(44)38-2)23-25-12-15-26-9-4-5-10-27(26)21-25)20-19-41(31)35(45)30(22-24-13-16-28(37)17-14-24)40-33(43)29-11-6-7-18-39-29/h4-5,9-10,12-17,21,29-32,39H,3,6-8,11,18-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t29-,30-,31+,32+/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179466
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...)Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C41H50FN7O5/c1-26(50)47-34(24-28-12-19-35(51)20-13-28)18-15-32(22-27-10-16-33(42)17-11-27)38(52)48-36(8-5-21-46-41(43)44)40(54)49-37(39(53)45-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-17,19-20,23,32,34,36-37,51H,5,8,15,18,21-22,24-25H2,1-2H3,(H,45,53)(H,47,50)(H,48,52)(H,49,54)(H4,43,44,46)/t32-,34-,36+,37+/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50253745
((S)-2-((S)-4-((R)-3-(4-Fluorophenyl)-2-(2-(methyla...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC |r| Show InChI InChI=1S/C33H40FN5O4/c1-4-7-28-33(43)39(29(31(41)36-3)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-38(28)32(42)27(37-30(40)21-35-2)19-22-11-14-26(34)15-12-22/h5-6,8-15,18,27-29,35H,4,7,16-17,19-21H2,1-3H3,(H,36,41)(H,37,40)/t27-,28+,29+/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
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)) | BDBM50253749
(CHEMBL506762 | N-((1R)-1-[(4-Fluorophenyl)methyl]-...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1 |r| Show InChI InChI=1S/C36H44FN5O4/c1-3-6-31-36(46)42(32(34(44)38-2)23-25-9-12-26-7-4-5-8-28(26)21-25)20-19-41(31)35(45)30(22-24-10-13-29(37)14-11-24)40-33(43)27-15-17-39-18-16-27/h4-5,7-14,21,27,30-32,39H,3,6,15-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1 | PDB
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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
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)) | BDBM50253750
((3S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 |r| Show InChI InChI=1S/C40H44FN5O4/c1-3-8-35-40(50)46(36(38(48)42-2)23-27-13-16-28-9-4-5-10-29(28)21-27)20-19-45(35)39(49)34(22-26-14-17-32(41)18-15-26)44-37(47)33-24-30-11-6-7-12-31(30)25-43-33/h4-7,9-18,21,33-36,43H,3,8,19-20,22-25H2,1-2H3,(H,42,48)(H,44,47)/t33-,34+,35-,36-/m0/s1 | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
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)) | BDBM50253746
((2S)-N-Methyl-2-[(3S)-4-(N-methyl-L-alanyl-4-fluor...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C34H42FN5O4/c1-5-8-29-34(44)40(30(32(42)37-4)21-24-11-14-25-9-6-7-10-26(25)19-24)18-17-39(29)33(43)28(38-31(41)22(2)36-3)20-23-12-15-27(35)16-13-23/h6-7,9-16,19,22,28-30,36H,5,8,17-18,20-21H2,1-4H3,(H,37,42)(H,38,41)/t22-,28+,29-,30-/m0/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
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50253739
(CHEMBL463047 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C36H38FN5O4/c1-3-7-31-36(46)42(32(34(44)38-2)22-25-11-14-26-8-4-5-9-27(26)20-25)19-18-41(31)35(45)30(21-24-12-15-29(37)16-13-24)40-33(43)28-10-6-17-39-23-28/h4-6,8-17,20,23,30-32H,3,7,18-19,21-22H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/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
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
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 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)) | 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 4
(Homo sapiens (Human)) | BDBM50253733
(2-{4-[2-Acetylamino-3-(4-fluoro-phenyl)-propionyl]...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O |r| Show InChI InChI=1S/C32H37FN4O4/c1-4-7-28-32(41)37(29(30(39)34-3)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-36(28)31(40)27(35-21(2)38)19-22-11-14-26(33)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-20H2,1-3H3,(H,34,39)(H,35,38)/t27-,28+,29+/m1/s1 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50179460
((R)-2-acetylamino-N-{(R)-1-benzyl-2-[(2S,4R)-4-ben...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C35H44N6O5/c1-24(42)39-31(19-26-14-16-29(43)17-15-26)33(44)40-32(20-25-9-4-2-5-10-25)34(45)41-22-30(46-23-27-11-6-3-7-12-27)21-28(41)13-8-18-38-35(36)37/h2-7,9-12,14-17,28,30-32,43H,8,13,18-23H2,1H3,(H,39,42)(H,40,44)(H4,36,37,38)/t28-,30+,31+,32+/m0/s1 | PDB
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| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC1 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50253741
((S)-2-((S)-4-((R)-2-Acetamido-3-amino propan-(4-fl...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N |r| Show InChI InChI=1S/C34H42FN5O4/c1-5-8-28-32(43)40(29(30(41)37-4)21-23-11-14-24-9-6-7-10-25(24)19-23)18-17-39(28)31(42)27(38-33(44)34(2,3)36)20-22-12-15-26(35)16-13-22/h6-7,9-16,19,27-29H,5,8,17-18,20-21,36H2,1-4H3,(H,37,41)(H,38,44)/t27-,28+,29+/m1/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50191556
((S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(nap...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1 Show InChI InChI=1S/C38H44N6O3/c39-38(40)41-18-8-15-32-22-33(47-25-27-16-17-28-11-4-5-12-29(28)19-27)24-44(32)37(46)35(20-26-9-2-1-3-10-26)43-36(45)34-21-30-13-6-7-14-31(30)23-42-34/h1-7,9-14,16-17,19,32-35,42H,8,15,18,20-25H2,(H,43,45)(H4,39,40,41)/t32-,33+,34-,35+/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 49: 4745-61 (2006)
Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179460
((R)-2-acetylamino-N-{(R)-1-benzyl-2-[(2S,4R)-4-ben...)Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C35H44N6O5/c1-24(42)39-31(19-26-14-16-29(43)17-15-26)33(44)40-32(20-25-9-4-2-5-10-25)34(45)41-22-30(46-23-27-11-6-3-7-12-27)21-28(41)13-8-18-38-35(36)37/h2-7,9-12,14-17,28,30-32,43H,8,13,18-23H2,1H3,(H,39,42)(H,40,44)(H4,36,37,38)/t28-,30+,31+,32+/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | 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 | |
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
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50253743
(1-Amino-N-((R)-3-(4-fluorophenyl)-1-((S)-4-((S)-1-...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 |r| Show InChI InChI=1S/C35H42FN5O4/c1-3-7-29-33(44)41(30(31(42)38-2)22-24-10-13-25-8-4-5-9-26(25)20-24)19-18-40(29)32(43)28(21-23-11-14-27(36)15-12-23)39-34(45)35(37)16-6-17-35/h4-5,8-15,20,28-30H,3,6-7,16-19,21-22,37H2,1-2H3,(H,38,42)(H,39,45)/t28-,29+,30+/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
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50253747
((2S)-N-((1R)-1-[(4-Fluorophenyl)methyl]-2-{(2S)-4-...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C35H42FN5O4/c1-3-7-30-35(45)41(31(33(43)37-2)22-24-11-14-25-8-4-5-9-26(25)20-24)19-18-40(30)34(44)29(21-23-12-15-27(36)16-13-23)39-32(42)28-10-6-17-38-28/h4-5,8-9,11-16,20,28-31,38H,3,6-7,10,17-19,21-22H2,1-2H3,(H,37,43)(H,39,42)/t28-,29+,30-,31-/m0/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
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)) | BDBM50191580
((2R,4R)-1-((R)-2-((S)-2-acetamido-3-(1H-imidazol-4...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:28.31,14.14,26.40,wD:4.3,(-.65,-12.93,;-1.99,-13.7,;-1.98,-15.24,;-3.32,-12.93,;-4.65,-13.71,;-5.99,-12.94,;-5.99,-11.4,;-7.24,-10.5,;-6.77,-9.03,;-5.23,-9.03,;-4.75,-10.49,;-4.65,-15.25,;-3.32,-16.01,;-5.98,-16.02,;-5.98,-17.56,;-7.32,-18.33,;-8.65,-17.56,;-9.99,-18.33,;-11.32,-17.56,;-11.32,-16.02,;-10,-15.25,;-8.66,-16.01,;-4.65,-18.33,;-3.32,-17.55,;-4.65,-19.87,;-5.89,-20.77,;-5.42,-22.24,;-3.88,-22.24,;-3.4,-20.77,;-2.06,-20.02,;-2.03,-18.48,;-.73,-20.81,;.61,-20.06,;1.93,-20.86,;3.28,-20.11,;4.6,-20.9,;5.95,-20.15,;4.58,-22.44,;-6.32,-23.48,;-5.69,-24.89,;-6.46,-26.23,;-5.69,-27.55,;-6.45,-28.88,;-7.99,-28.89,;-8.76,-30.22,;-10.28,-30.22,;-11.06,-28.89,;-10.29,-27.56,;-8.76,-27.56,;-8,-26.23,)| Show InChI InChI=1S/C36H43N9O5/c1-23(46)43-30(17-28-19-39-22-42-28)33(47)44-31(16-24-7-3-2-4-8-24)35(49)45-20-29(18-32(45)34(48)40-13-14-41-36(37)38)50-21-25-11-12-26-9-5-6-10-27(26)15-25/h2-12,15,19,22,29-32H,13-14,16-18,20-21H2,1H3,(H,39,42)(H,40,48)(H,43,46)(H,44,47)(H4,37,38,41)/t29-,30+,31-,32-/m1/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
Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells |
J Med Chem 49: 4745-61 (2006)
Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J |
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
Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells |
J Med Chem 49: 4745-61 (2006)
Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50179468
((S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic a...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C34H42N6O3/c35-34(36)37-17-9-16-28-20-29(43-23-25-12-5-2-6-13-25)22-40(28)33(42)31(18-24-10-3-1-4-11-24)39-32(41)30-19-26-14-7-8-15-27(26)21-38-30/h1-8,10-15,28-31,38H,9,16-23H2,(H,39,41)(H4,35,36,37)/t28-,29+,30+,31+/m0/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to MC4 receptor |
Bioorg Med Chem Lett 16: 1721-5 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50253744
(1-Amino-N-((R)-3-(4-fluorophenyl)-1-((S)-4-((S)-1-...)Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1 |r| Show InChI InChI=1S/C36H44FN5O4/c1-3-8-30-34(45)42(31(32(43)39-2)23-25-11-14-26-9-4-5-10-27(26)21-25)20-19-41(30)33(44)29(22-24-12-15-28(37)16-13-24)40-35(46)36(38)17-6-7-18-36/h4-5,9-16,21,29-31H,3,6-8,17-20,22-23,38H2,1-2H3,(H,39,43)(H,40,46)/t29-,30+,31+/m1/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 51: 6055-66 (2008)
Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50191565
((S)-2-acetamido-N-((R)-1-((2R,4S)-2-(3-guanidinopr...)Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:14.14,4.3,wD:28.31,26.38,(8.94,3.78,;10.28,3.01,;10.28,1.47,;11.61,3.78,;12.95,3.01,;14.28,3.78,;14.28,5.32,;13.02,6.23,;13.5,7.69,;15.04,7.7,;15.51,6.23,;12.95,1.47,;14.28,.7,;11.61,.7,;11.62,-.84,;10.28,-1.61,;8.95,-.84,;7.61,-1.61,;6.27,-.84,;6.28,.7,;7.6,1.47,;8.94,.71,;12.95,-1.61,;14.28,-.84,;12.95,-3.15,;11.7,-4.06,;12.18,-5.52,;13.72,-5.52,;14.2,-4.05,;15.54,-3.3,;16.86,-4.1,;18.21,-3.35,;19.53,-4.14,;20.88,-3.39,;22.2,-4.18,;20.9,-1.85,;11.28,-6.77,;11.91,-8.17,;11.14,-9.51,;11.91,-10.83,;11.15,-12.17,;9.6,-12.18,;8.84,-13.5,;7.31,-13.51,;6.54,-12.17,;7.31,-10.84,;8.84,-10.84,;9.6,-9.51,)| Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31+,32+,33-/m1/s1 | PDB
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Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells |
J Med Chem 49: 4745-61 (2006)
Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J |
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
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 | |
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