Found 17 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)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50343650
((2S,5S,8R,11S,14S,17S,20S)-5-((1H-indol-3-yl)methy...)Show SMILES C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.0,54.73,16.16,wD:27.28,5.5,58.61,41.44,(36.67,-5.33,;36.67,-6.88,;35.34,-7.64,;34,-6.88,;34,-5.33,;32.67,-7.64,;32.67,-9.18,;34,-9.96,;34,-11.5,;35.33,-12.27,;35.33,-13.82,;36.66,-14.59,;33.99,-14.59,;31.33,-6.88,;29.99,-7.64,;29.99,-9.18,;28.66,-6.88,;27.33,-7.66,;27.34,-9.2,;28.68,-9.95,;28.69,-11.49,;27.36,-12.28,;26.03,-11.52,;26.01,-9.97,;28.64,-5.33,;29.96,-4.55,;31.31,-5.31,;29.95,-3.01,;28.6,-2.25,;27.24,-2.97,;27.01,-4.49,;25.5,-4.75,;24.77,-3.39,;23.29,-3,;22.87,-1.52,;23.95,-.42,;25.44,-.8,;25.86,-2.28,;31.27,-2.23,;32.61,-2.98,;32.64,-4.52,;33.94,-2.2,;33.92,-.65,;35.25,.13,;35.23,1.67,;36.56,2.46,;36.55,4,;37.88,4.78,;35.2,4.75,;35.29,-2.96,;43.31,-2.98,;44.64,-2.2,;43.33,-4.53,;44.66,-5.29,;44.68,-6.82,;43.35,-7.61,;42.01,-6.85,;42,-5.31,;40.68,-7.63,;40.69,-9.17,;42.04,-9.93,;43.37,-9.15,;44.71,-9.91,;44.72,-11.45,;43.4,-12.23,;42.05,-11.48,;39.34,-6.88,;38.01,-7.64,;38.01,-9.18,;46.02,-7.58,;47.35,-6.81,;46.03,-9.12,)| Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36-,37-,38+,39-/m0/s1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50343650
((2S,5S,8R,11S,14S,17S,20S)-5-((1H-indol-3-yl)methy...)Show SMILES C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.0,54.73,16.16,wD:27.28,5.5,58.61,41.44,(36.67,-5.33,;36.67,-6.88,;35.34,-7.64,;34,-6.88,;34,-5.33,;32.67,-7.64,;32.67,-9.18,;34,-9.96,;34,-11.5,;35.33,-12.27,;35.33,-13.82,;36.66,-14.59,;33.99,-14.59,;31.33,-6.88,;29.99,-7.64,;29.99,-9.18,;28.66,-6.88,;27.33,-7.66,;27.34,-9.2,;28.68,-9.95,;28.69,-11.49,;27.36,-12.28,;26.03,-11.52,;26.01,-9.97,;28.64,-5.33,;29.96,-4.55,;31.31,-5.31,;29.95,-3.01,;28.6,-2.25,;27.24,-2.97,;27.01,-4.49,;25.5,-4.75,;24.77,-3.39,;23.29,-3,;22.87,-1.52,;23.95,-.42,;25.44,-.8,;25.86,-2.28,;31.27,-2.23,;32.61,-2.98,;32.64,-4.52,;33.94,-2.2,;33.92,-.65,;35.25,.13,;35.23,1.67,;36.56,2.46,;36.55,4,;37.88,4.78,;35.2,4.75,;35.29,-2.96,;43.31,-2.98,;44.64,-2.2,;43.33,-4.53,;44.66,-5.29,;44.68,-6.82,;43.35,-7.61,;42.01,-6.85,;42,-5.31,;40.68,-7.63,;40.69,-9.17,;42.04,-9.93,;43.37,-9.15,;44.71,-9.91,;44.72,-11.45,;43.4,-12.23,;42.05,-11.48,;39.34,-6.88,;38.01,-7.64,;38.01,-9.18,;46.02,-7.58,;47.35,-6.81,;46.03,-9.12,)| Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36-,37-,38+,39-/m0/s1 | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50343649
((2S,5S,8S,11R,14S,17S,20S)-5-((1H-indol-3-yl)methy...)Show SMILES C[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:5.5,1.0,54.73,wD:27.28,58.61,16.16,41.44,(34.32,-23.94,;34.32,-25.48,;32.99,-26.24,;31.66,-25.48,;31.66,-23.94,;30.33,-26.24,;30.33,-27.78,;31.66,-28.56,;31.65,-30.1,;30.32,-30.86,;30.32,-32.4,;28.98,-33.17,;31.65,-33.18,;28.99,-25.48,;27.65,-26.24,;27.65,-27.78,;26.32,-25.48,;24.99,-26.26,;25,-27.8,;26.34,-28.55,;26.35,-30.09,;25.02,-30.87,;23.69,-30.11,;23.67,-28.57,;26.3,-23.94,;27.62,-23.15,;28.97,-23.91,;27.61,-21.62,;26.27,-20.86,;24.9,-21.57,;24.68,-23.1,;23.16,-23.35,;22.44,-21.99,;20.95,-21.61,;20.54,-20.12,;21.62,-19.02,;23.11,-19.41,;23.52,-20.89,;28.93,-20.83,;30.27,-21.59,;30.29,-23.13,;31.6,-20.8,;31.58,-19.26,;32.91,-18.47,;32.89,-16.93,;34.22,-16.15,;34.2,-14.61,;35.52,-13.83,;32.85,-13.85,;32.94,-21.56,;40.96,-21.59,;42.28,-20.81,;40.97,-23.13,;42.31,-23.89,;42.33,-25.43,;41,-26.21,;39.66,-25.45,;39.65,-23.91,;38.33,-26.23,;38.34,-27.77,;39.69,-28.53,;41.02,-27.75,;42.36,-28.51,;42.37,-30.05,;41.04,-30.82,;39.7,-30.07,;36.99,-25.48,;35.66,-26.24,;35.66,-27.78,;43.67,-26.18,;44.99,-25.4,;43.68,-27.72,)| Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36+,37-,38-,39-/m0/s1 | PDB
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PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50343650
((2S,5S,8R,11S,14S,17S,20S)-5-((1H-indol-3-yl)methy...)Show SMILES C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.0,54.73,16.16,wD:27.28,5.5,58.61,41.44,(36.67,-5.33,;36.67,-6.88,;35.34,-7.64,;34,-6.88,;34,-5.33,;32.67,-7.64,;32.67,-9.18,;34,-9.96,;34,-11.5,;35.33,-12.27,;35.33,-13.82,;36.66,-14.59,;33.99,-14.59,;31.33,-6.88,;29.99,-7.64,;29.99,-9.18,;28.66,-6.88,;27.33,-7.66,;27.34,-9.2,;28.68,-9.95,;28.69,-11.49,;27.36,-12.28,;26.03,-11.52,;26.01,-9.97,;28.64,-5.33,;29.96,-4.55,;31.31,-5.31,;29.95,-3.01,;28.6,-2.25,;27.24,-2.97,;27.01,-4.49,;25.5,-4.75,;24.77,-3.39,;23.29,-3,;22.87,-1.52,;23.95,-.42,;25.44,-.8,;25.86,-2.28,;31.27,-2.23,;32.61,-2.98,;32.64,-4.52,;33.94,-2.2,;33.92,-.65,;35.25,.13,;35.23,1.67,;36.56,2.46,;36.55,4,;37.88,4.78,;35.2,4.75,;35.29,-2.96,;43.31,-2.98,;44.64,-2.2,;43.33,-4.53,;44.66,-5.29,;44.68,-6.82,;43.35,-7.61,;42.01,-6.85,;42,-5.31,;40.68,-7.63,;40.69,-9.17,;42.04,-9.93,;43.37,-9.15,;44.71,-9.91,;44.72,-11.45,;43.4,-12.23,;42.05,-11.48,;39.34,-6.88,;38.01,-7.64,;38.01,-9.18,;46.02,-7.58,;47.35,-6.81,;46.03,-9.12,)| Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36-,37-,38+,39-/m0/s1 | PDB
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PubMed
| n/a | n/a | 515 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50343649
((2S,5S,8S,11R,14S,17S,20S)-5-((1H-indol-3-yl)methy...)Show SMILES C[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:5.5,1.0,54.73,wD:27.28,58.61,16.16,41.44,(34.32,-23.94,;34.32,-25.48,;32.99,-26.24,;31.66,-25.48,;31.66,-23.94,;30.33,-26.24,;30.33,-27.78,;31.66,-28.56,;31.65,-30.1,;30.32,-30.86,;30.32,-32.4,;28.98,-33.17,;31.65,-33.18,;28.99,-25.48,;27.65,-26.24,;27.65,-27.78,;26.32,-25.48,;24.99,-26.26,;25,-27.8,;26.34,-28.55,;26.35,-30.09,;25.02,-30.87,;23.69,-30.11,;23.67,-28.57,;26.3,-23.94,;27.62,-23.15,;28.97,-23.91,;27.61,-21.62,;26.27,-20.86,;24.9,-21.57,;24.68,-23.1,;23.16,-23.35,;22.44,-21.99,;20.95,-21.61,;20.54,-20.12,;21.62,-19.02,;23.11,-19.41,;23.52,-20.89,;28.93,-20.83,;30.27,-21.59,;30.29,-23.13,;31.6,-20.8,;31.58,-19.26,;32.91,-18.47,;32.89,-16.93,;34.22,-16.15,;34.2,-14.61,;35.52,-13.83,;32.85,-13.85,;32.94,-21.56,;40.96,-21.59,;42.28,-20.81,;40.97,-23.13,;42.31,-23.89,;42.33,-25.43,;41,-26.21,;39.66,-25.45,;39.65,-23.91,;38.33,-26.23,;38.34,-27.77,;39.69,-28.53,;41.02,-27.75,;42.36,-28.51,;42.37,-30.05,;41.04,-30.82,;39.7,-30.07,;36.99,-25.48,;35.66,-26.24,;35.66,-27.78,;43.67,-26.18,;44.99,-25.4,;43.68,-27.72,)| Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36+,37-,38-,39-/m0/s1 | PDB
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PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50343650
((2S,5S,8R,11S,14S,17S,20S)-5-((1H-indol-3-yl)methy...)Show SMILES C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.0,54.73,16.16,wD:27.28,5.5,58.61,41.44,(36.67,-5.33,;36.67,-6.88,;35.34,-7.64,;34,-6.88,;34,-5.33,;32.67,-7.64,;32.67,-9.18,;34,-9.96,;34,-11.5,;35.33,-12.27,;35.33,-13.82,;36.66,-14.59,;33.99,-14.59,;31.33,-6.88,;29.99,-7.64,;29.99,-9.18,;28.66,-6.88,;27.33,-7.66,;27.34,-9.2,;28.68,-9.95,;28.69,-11.49,;27.36,-12.28,;26.03,-11.52,;26.01,-9.97,;28.64,-5.33,;29.96,-4.55,;31.31,-5.31,;29.95,-3.01,;28.6,-2.25,;27.24,-2.97,;27.01,-4.49,;25.5,-4.75,;24.77,-3.39,;23.29,-3,;22.87,-1.52,;23.95,-.42,;25.44,-.8,;25.86,-2.28,;31.27,-2.23,;32.61,-2.98,;32.64,-4.52,;33.94,-2.2,;33.92,-.65,;35.25,.13,;35.23,1.67,;36.56,2.46,;36.55,4,;37.88,4.78,;35.2,4.75,;35.29,-2.96,;43.31,-2.98,;44.64,-2.2,;43.33,-4.53,;44.66,-5.29,;44.68,-6.82,;43.35,-7.61,;42.01,-6.85,;42,-5.31,;40.68,-7.63,;40.69,-9.17,;42.04,-9.93,;43.37,-9.15,;44.71,-9.91,;44.72,-11.45,;43.4,-12.23,;42.05,-11.48,;39.34,-6.88,;38.01,-7.64,;38.01,-9.18,;46.02,-7.58,;47.35,-6.81,;46.03,-9.12,)| Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36-,37-,38+,39-/m0/s1 | PDB
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PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50343648
((2S,5S,8S,11R,14S,17S,20S)-11-((1H-imidazol-5-yl)m...)Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:5.5,1.0,53.73,wD:40.44,26.28,57.61,15.16,(4.15,-22.63,;4.15,-24.17,;2.82,-24.93,;1.48,-24.17,;1.48,-22.63,;.15,-24.93,;.15,-26.47,;1.48,-27.25,;2.89,-26.62,;3.92,-27.77,;3.15,-29.1,;1.64,-28.78,;-1.19,-24.17,;-2.52,-24.93,;-2.52,-26.47,;-3.86,-24.17,;-5.18,-24.95,;-5.17,-26.49,;-3.84,-27.24,;-3.82,-28.78,;-5.15,-29.57,;-6.49,-28.8,;-6.5,-27.26,;-3.87,-22.63,;-2.55,-21.85,;-1.21,-22.6,;-2.57,-20.31,;-3.91,-19.55,;-5.28,-20.27,;-5.5,-21.79,;-7.02,-22.04,;-7.73,-20.68,;-9.23,-20.3,;-9.64,-18.81,;-8.56,-17.72,;-7.07,-18.1,;-6.66,-19.58,;-1.24,-19.52,;.1,-20.28,;.12,-21.82,;1.43,-19.5,;1.41,-17.95,;2.74,-17.17,;2.71,-15.63,;4.04,-14.84,;4.02,-13.3,;5.35,-12.52,;2.68,-12.55,;2.77,-20.25,;10.78,-20.28,;12.11,-19.5,;10.8,-21.82,;12.14,-22.58,;12.15,-24.12,;10.83,-24.9,;9.49,-24.14,;9.47,-22.6,;8.15,-24.92,;8.17,-26.46,;9.51,-27.22,;10.84,-26.44,;12.18,-27.2,;12.19,-28.74,;10.87,-29.52,;9.53,-28.76,;6.81,-24.17,;5.48,-24.93,;5.48,-26.47,;13.49,-24.87,;14.82,-24.09,;13.51,-26.41,)| Show InChI InChI=1S/C49H60N14O8/c1-28-43(66)60-37(21-29-11-4-2-5-12-29)46(69)59-35(42(50)65)18-19-41(64)58-36(17-10-20-54-49(51)52)44(67)62-39(23-31-25-55-34-16-9-8-15-33(31)34)48(71)61-38(22-30-13-6-3-7-14-30)47(70)63-40(45(68)57-28)24-32-26-53-27-56-32/h2-9,11-16,25-28,35-40,55H,10,17-24H2,1H3,(H2,50,65)(H,53,56)(H,57,68)(H,58,64)(H,59,69)(H,60,66)(H,61,71)(H,62,67)(H,63,70)(H4,51,52,54)/t28-,35-,36-,37-,38-,39-,40+/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50343649
((2S,5S,8S,11R,14S,17S,20S)-5-((1H-indol-3-yl)methy...)Show SMILES C[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:5.5,1.0,54.73,wD:27.28,58.61,16.16,41.44,(34.32,-23.94,;34.32,-25.48,;32.99,-26.24,;31.66,-25.48,;31.66,-23.94,;30.33,-26.24,;30.33,-27.78,;31.66,-28.56,;31.65,-30.1,;30.32,-30.86,;30.32,-32.4,;28.98,-33.17,;31.65,-33.18,;28.99,-25.48,;27.65,-26.24,;27.65,-27.78,;26.32,-25.48,;24.99,-26.26,;25,-27.8,;26.34,-28.55,;26.35,-30.09,;25.02,-30.87,;23.69,-30.11,;23.67,-28.57,;26.3,-23.94,;27.62,-23.15,;28.97,-23.91,;27.61,-21.62,;26.27,-20.86,;24.9,-21.57,;24.68,-23.1,;23.16,-23.35,;22.44,-21.99,;20.95,-21.61,;20.54,-20.12,;21.62,-19.02,;23.11,-19.41,;23.52,-20.89,;28.93,-20.83,;30.27,-21.59,;30.29,-23.13,;31.6,-20.8,;31.58,-19.26,;32.91,-18.47,;32.89,-16.93,;34.22,-16.15,;34.2,-14.61,;35.52,-13.83,;32.85,-13.85,;32.94,-21.56,;40.96,-21.59,;42.28,-20.81,;40.97,-23.13,;42.31,-23.89,;42.33,-25.43,;41,-26.21,;39.66,-25.45,;39.65,-23.91,;38.33,-26.23,;38.34,-27.77,;39.69,-28.53,;41.02,-27.75,;42.36,-28.51,;42.37,-30.05,;41.04,-30.82,;39.7,-30.07,;36.99,-25.48,;35.66,-26.24,;35.66,-27.78,;43.67,-26.18,;44.99,-25.4,;43.68,-27.72,)| Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36+,37-,38-,39-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC3R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50343650
((2S,5S,8R,11S,14S,17S,20S)-5-((1H-indol-3-yl)methy...)Show SMILES C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.0,54.73,16.16,wD:27.28,5.5,58.61,41.44,(36.67,-5.33,;36.67,-6.88,;35.34,-7.64,;34,-6.88,;34,-5.33,;32.67,-7.64,;32.67,-9.18,;34,-9.96,;34,-11.5,;35.33,-12.27,;35.33,-13.82,;36.66,-14.59,;33.99,-14.59,;31.33,-6.88,;29.99,-7.64,;29.99,-9.18,;28.66,-6.88,;27.33,-7.66,;27.34,-9.2,;28.68,-9.95,;28.69,-11.49,;27.36,-12.28,;26.03,-11.52,;26.01,-9.97,;28.64,-5.33,;29.96,-4.55,;31.31,-5.31,;29.95,-3.01,;28.6,-2.25,;27.24,-2.97,;27.01,-4.49,;25.5,-4.75,;24.77,-3.39,;23.29,-3,;22.87,-1.52,;23.95,-.42,;25.44,-.8,;25.86,-2.28,;31.27,-2.23,;32.61,-2.98,;32.64,-4.52,;33.94,-2.2,;33.92,-.65,;35.25,.13,;35.23,1.67,;36.56,2.46,;36.55,4,;37.88,4.78,;35.2,4.75,;35.29,-2.96,;43.31,-2.98,;44.64,-2.2,;43.33,-4.53,;44.66,-5.29,;44.68,-6.82,;43.35,-7.61,;42.01,-6.85,;42,-5.31,;40.68,-7.63,;40.69,-9.17,;42.04,-9.93,;43.37,-9.15,;44.71,-9.91,;44.72,-11.45,;43.4,-12.23,;42.05,-11.48,;39.34,-6.88,;38.01,-7.64,;38.01,-9.18,;46.02,-7.58,;47.35,-6.81,;46.03,-9.12,)| Show InChI InChI=1S/C49H65N15O8/c1-28-42(67)62-37(24-29-12-4-2-5-13-29)45(70)60-34(41(50)66)20-21-40(65)59-35(18-10-22-55-48(51)52)44(69)64-39(26-31-27-57-33-17-9-8-16-32(31)33)47(72)63-38(25-30-14-6-3-7-15-30)46(71)61-36(43(68)58-28)19-11-23-56-49(53)54/h2-9,12-17,27-28,34-39,57H,10-11,18-26H2,1H3,(H2,50,66)(H,58,68)(H,59,65)(H,60,70)(H,61,71)(H,62,67)(H,63,72)(H,64,69)(H4,51,52,55)(H4,53,54,56)/t28-,34-,35-,36-,37-,38+,39-/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50184359
((3S,6S,9R,12S,15S,23S)-15-((S)-2-acetylamino-hexan...)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)| Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
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University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting |
Bioorg Med Chem Lett 21: 3099-102 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.019
BindingDB Entry DOI: 10.7270/Q2BC3ZVF |
More data for this
Ligand-Target Pair | |
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