Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50016817 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)) | BDBM50174078
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:44.46,7.6,10.13,wD:7.20,22.23,33.35,(-8.42,-2.6,;-7.09,-3.35,;-5.77,-2.6,;-4.46,-3.37,;-3.15,-2.6,;-3.15,-1.09,;-1.84,-3.38,;-1.44,-4.83,;-2.83,-4.22,;-4.05,-5.1,;-3.88,-6.61,;-2.51,-7.21,;-1.29,-6.33,;-5.09,-7.49,;-6.47,-6.87,;-7.68,-7.76,;-7.53,-9.26,;-6.14,-9.87,;-4.93,-8.98,;-.23,-3.94,;-.39,-2.44,;1.16,-4.55,;2.36,-3.66,;2.36,-2.11,;2.76,-.6,;1.64,.49,;2.03,2,;3.55,2.43,;4.64,1.33,;4.25,-.18,;3.65,-4.52,;3.65,-6.07,;5.01,-3.79,;6.22,-4.69,;6.22,-6.23,;7.56,-7,;7.56,-8.54,;8.89,-9.26,;10.23,-10.08,;10.23,-11.63,;11.57,-9.31,;7.51,-3.81,;7.51,-2.27,;8.87,-4.55,;10.08,-3.66,;10.08,-2.11,;10.61,-.65,;12.09,-.21,;12.13,1.33,;10.69,1.84,;10.1,3.26,;8.57,3.47,;7.63,2.25,;8.21,.82,;9.74,.62,;11.37,-4.52,;11.37,-6.07,;12.73,-3.79,;13.96,-4.69,;15.22,-3.81,;16.59,-4.55,;15.24,-2.27,)| Show InChI InChI=1S/C46H60N10O6/c1-2-3-20-40(58)56-46(23-21-32(22-24-46)31-15-8-5-9-16-31)44(62)55-37(26-30-13-6-4-7-14-30)43(61)53-36(19-12-25-50-45(48)49)42(60)54-38(41(59)52-29-39(47)57)27-33-28-51-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,51H,2-3,12,19-27,29H2,1H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t32-,36-,37+,38-,46+/m0/s1 | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174073
(4-(4-Ethoxy-phenyl)-1-pentanoylamino-cyclohexaneca...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OCC)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:47.49,7.6,10.13,wD:7.23,25.26,36.38,(-9.98,-.76,;-8.67,-1.52,;-7.33,-.76,;-6.02,-1.53,;-4.7,-.77,;-4.7,.75,;-3.39,-1.53,;-3,-3,;-4.37,-2.38,;-5.6,-3.28,;-5.42,-4.77,;-4.06,-5.39,;-2.82,-4.49,;-6.66,-5.65,;-6.48,-7.14,;-7.69,-8.04,;-9.08,-7.42,;-10.29,-8.32,;-10.14,-9.82,;-11.37,-10.72,;-9.23,-5.93,;-8.02,-5.03,;-1.77,-2.09,;-1.95,-.6,;-.4,-2.71,;.83,-1.81,;.83,-.27,;1.22,1.25,;.11,2.33,;.5,3.85,;1.99,4.27,;3.1,3.18,;2.71,1.66,;2.09,-2.69,;2.12,-4.23,;3.46,-1.97,;4.69,-2.84,;4.69,-4.41,;6.03,-5.18,;6.03,-6.73,;7.35,-7.45,;8.71,-8.27,;8.71,-9.82,;10.05,-7.5,;5.98,-1.99,;5.98,-.42,;7.35,-2.71,;8.56,-1.81,;8.56,-.27,;9.07,1.18,;10.56,1.61,;10.62,3.16,;9.15,3.67,;8.56,5.11,;7.04,5.32,;6.08,4.11,;6.68,2.67,;8.22,2.46,;9.84,-2.69,;9.84,-4.23,;11.21,-1.97,;12.42,-2.84,;13.71,-1.99,;15.07,-2.71,;13.71,-.42,)| Show InChI InChI=1S/C48H64N10O7/c1-3-5-17-42(60)58-48(24-22-33(23-25-48)32-18-20-35(21-19-32)65-4-2)46(64)57-39(27-31-12-7-6-8-13-31)45(63)55-38(16-11-26-52-47(50)51)44(62)56-40(43(61)54-30-41(49)59)28-34-29-53-37-15-10-9-14-36(34)37/h6-10,12-15,18-21,29,33,38-40,53H,3-5,11,16-17,22-28,30H2,1-2H3,(H2,49,59)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,60)(H4,50,51,52)/t33-,38-,39+,40-,48+/m0/s1 | PDB
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PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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| CHEMBL
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PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 1 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 3
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 3 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50174073
(4-(4-Ethoxy-phenyl)-1-pentanoylamino-cyclohexaneca...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OCC)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:47.49,7.6,10.13,wD:7.23,25.26,36.38,(-9.98,-.76,;-8.67,-1.52,;-7.33,-.76,;-6.02,-1.53,;-4.7,-.77,;-4.7,.75,;-3.39,-1.53,;-3,-3,;-4.37,-2.38,;-5.6,-3.28,;-5.42,-4.77,;-4.06,-5.39,;-2.82,-4.49,;-6.66,-5.65,;-6.48,-7.14,;-7.69,-8.04,;-9.08,-7.42,;-10.29,-8.32,;-10.14,-9.82,;-11.37,-10.72,;-9.23,-5.93,;-8.02,-5.03,;-1.77,-2.09,;-1.95,-.6,;-.4,-2.71,;.83,-1.81,;.83,-.27,;1.22,1.25,;.11,2.33,;.5,3.85,;1.99,4.27,;3.1,3.18,;2.71,1.66,;2.09,-2.69,;2.12,-4.23,;3.46,-1.97,;4.69,-2.84,;4.69,-4.41,;6.03,-5.18,;6.03,-6.73,;7.35,-7.45,;8.71,-8.27,;8.71,-9.82,;10.05,-7.5,;5.98,-1.99,;5.98,-.42,;7.35,-2.71,;8.56,-1.81,;8.56,-.27,;9.07,1.18,;10.56,1.61,;10.62,3.16,;9.15,3.67,;8.56,5.11,;7.04,5.32,;6.08,4.11,;6.68,2.67,;8.22,2.46,;9.84,-2.69,;9.84,-4.23,;11.21,-1.97,;12.42,-2.84,;13.71,-1.99,;15.07,-2.71,;13.71,-.42,)| Show InChI InChI=1S/C48H64N10O7/c1-3-5-17-42(60)58-48(24-22-33(23-25-48)32-18-20-35(21-19-32)65-4-2)46(64)57-39(27-31-12-7-6-8-13-31)45(63)55-38(16-11-26-52-47(50)51)44(62)56-40(43(61)54-30-41(49)59)28-34-29-53-37-15-10-9-14-36(34)37/h6-10,12-15,18-21,29,33,38-40,53H,3-5,11,16-17,22-28,30H2,1-2H3,(H2,49,59)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,60)(H4,50,51,52)/t33-,38-,39+,40-,48+/m0/s1 | PDB
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 1 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50174078
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:44.46,7.6,10.13,wD:7.20,22.23,33.35,(-8.42,-2.6,;-7.09,-3.35,;-5.77,-2.6,;-4.46,-3.37,;-3.15,-2.6,;-3.15,-1.09,;-1.84,-3.38,;-1.44,-4.83,;-2.83,-4.22,;-4.05,-5.1,;-3.88,-6.61,;-2.51,-7.21,;-1.29,-6.33,;-5.09,-7.49,;-6.47,-6.87,;-7.68,-7.76,;-7.53,-9.26,;-6.14,-9.87,;-4.93,-8.98,;-.23,-3.94,;-.39,-2.44,;1.16,-4.55,;2.36,-3.66,;2.36,-2.11,;2.76,-.6,;1.64,.49,;2.03,2,;3.55,2.43,;4.64,1.33,;4.25,-.18,;3.65,-4.52,;3.65,-6.07,;5.01,-3.79,;6.22,-4.69,;6.22,-6.23,;7.56,-7,;7.56,-8.54,;8.89,-9.26,;10.23,-10.08,;10.23,-11.63,;11.57,-9.31,;7.51,-3.81,;7.51,-2.27,;8.87,-4.55,;10.08,-3.66,;10.08,-2.11,;10.61,-.65,;12.09,-.21,;12.13,1.33,;10.69,1.84,;10.1,3.26,;8.57,3.47,;7.63,2.25,;8.21,.82,;9.74,.62,;11.37,-4.52,;11.37,-6.07,;12.73,-3.79,;13.96,-4.69,;15.22,-3.81,;16.59,-4.55,;15.24,-2.27,)| Show InChI InChI=1S/C46H60N10O6/c1-2-3-20-40(58)56-46(23-21-32(22-24-46)31-15-8-5-9-16-31)44(62)55-37(26-30-13-6-4-7-14-30)43(61)53-36(19-12-25-50-45(48)49)42(60)54-38(41(59)52-29-39(47)57)27-33-28-51-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,51H,2-3,12,19-27,29H2,1H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t32-,36-,37+,38-,46+/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 1 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 5
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 5 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121892
(2-Butyrylamino-1,2,3,4-tetrahydro-naphthalene-2-ca...)Show SMILES CCCC(=O)N[C@]1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:19.21,30.33,wD:6.17,41.44,(5.17,-6.2,;4.26,-7.43,;4.87,-8.83,;3.94,-10.07,;2.42,-9.9,;4.55,-11.49,;3.63,-12.72,;2.7,-13.96,;1.16,-13.77,;.56,-12.35,;-.98,-12.16,;-1.56,-10.74,;-.63,-9.51,;.89,-9.69,;1.49,-11.11,;3.03,-11.3,;5.01,-13.42,;5.13,-14.82,;6.45,-12.51,;7.78,-13.28,;7.78,-14.82,;9.13,-15.59,;9.11,-17.12,;10.46,-17.89,;11.79,-17.12,;11.79,-15.59,;10.46,-14.82,;9.13,-12.51,;9.13,-10.95,;10.46,-13.28,;11.79,-12.49,;11.79,-10.97,;13.14,-10.2,;13.14,-8.64,;14.47,-7.87,;14.47,-6.34,;15.8,-5.57,;13.14,-5.57,;13.14,-13.28,;13.12,-14.82,;14.47,-12.51,;15.8,-13.28,;15.8,-14.82,;17.12,-15.59,;18.55,-14.96,;19.57,-16.1,;18.79,-17.45,;19.25,-18.92,;18.24,-20.06,;16.73,-19.73,;16.26,-18.27,;17.29,-17.12,;17.12,-12.51,;17.15,-10.97,;18.48,-13.28,;19.8,-12.51,;21.13,-13.28,;22.46,-12.51,;21.13,-14.82,)| Show InChI InChI=1S/C43H54N10O6/c1-2-11-37(55)53-43(20-19-28-14-6-7-15-29(28)24-43)41(59)52-34(22-27-12-4-3-5-13-27)40(58)50-33(18-10-21-47-42(45)46)39(57)51-35(38(56)49-26-36(44)54)23-30-25-48-32-17-9-8-16-31(30)32/h3-9,12-17,25,33-35,48H,2,10-11,18-24,26H2,1H3,(H2,44,54)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,55)(H4,45,46,47)/t33-,34+,35-,43?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121892
(2-Butyrylamino-1,2,3,4-tetrahydro-naphthalene-2-ca...)Show SMILES CCCC(=O)N[C@]1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:19.21,30.33,wD:6.17,41.44,(5.17,-6.2,;4.26,-7.43,;4.87,-8.83,;3.94,-10.07,;2.42,-9.9,;4.55,-11.49,;3.63,-12.72,;2.7,-13.96,;1.16,-13.77,;.56,-12.35,;-.98,-12.16,;-1.56,-10.74,;-.63,-9.51,;.89,-9.69,;1.49,-11.11,;3.03,-11.3,;5.01,-13.42,;5.13,-14.82,;6.45,-12.51,;7.78,-13.28,;7.78,-14.82,;9.13,-15.59,;9.11,-17.12,;10.46,-17.89,;11.79,-17.12,;11.79,-15.59,;10.46,-14.82,;9.13,-12.51,;9.13,-10.95,;10.46,-13.28,;11.79,-12.49,;11.79,-10.97,;13.14,-10.2,;13.14,-8.64,;14.47,-7.87,;14.47,-6.34,;15.8,-5.57,;13.14,-5.57,;13.14,-13.28,;13.12,-14.82,;14.47,-12.51,;15.8,-13.28,;15.8,-14.82,;17.12,-15.59,;18.55,-14.96,;19.57,-16.1,;18.79,-17.45,;19.25,-18.92,;18.24,-20.06,;16.73,-19.73,;16.26,-18.27,;17.29,-17.12,;17.12,-12.51,;17.15,-10.97,;18.48,-13.28,;19.8,-12.51,;21.13,-13.28,;22.46,-12.51,;21.13,-14.82,)| Show InChI InChI=1S/C43H54N10O6/c1-2-11-37(55)53-43(20-19-28-14-6-7-15-29(28)24-43)41(59)52-34(22-27-12-4-3-5-13-27)40(58)50-33(18-10-21-47-42(45)46)39(57)51-35(38(56)49-26-36(44)54)23-30-25-48-32-17-9-8-16-31(30)32/h3-9,12-17,25,33-35,48H,2,10-11,18-24,26H2,1H3,(H2,44,54)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,55)(H4,45,46,47)/t33-,34+,35-,43?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration required for cAMP accumulation mediated by human Melanocortin 1 receptor in HEK293 cells |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174075
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:44.46,7.6,10.13,wD:7.20,22.23,33.35,(-8.92,-.75,;-7.61,-1.51,;-6.29,-.76,;-4.97,-1.52,;-3.64,-.76,;-3.64,.77,;-2.32,-1.53,;-1.94,-3,;-3.32,-2.38,;-4.53,-3.28,;-4.38,-4.78,;-2.99,-5.4,;-1.77,-4.5,;-5.6,-5.66,;-6.97,-5.04,;-8.2,-5.95,;-8.05,-7.44,;-6.65,-8.06,;-5.45,-7.16,;-.71,-2.1,;-.88,-.59,;.67,-2.71,;1.89,-1.82,;1.89,-.26,;2.3,1.26,;1.17,2.35,;1.56,3.87,;3.07,4.3,;4.19,3.19,;3.8,1.68,;3.18,-2.68,;3.18,-4.24,;4.53,-1.94,;5.77,-2.85,;5.77,-4.4,;7.11,-5.17,;7.11,-6.72,;8.44,-7.44,;9.79,-8.27,;9.79,-9.82,;11.13,-7.49,;7.05,-1.97,;7.06,-.42,;8.42,-2.71,;9.64,-1.82,;9.64,-.26,;10.15,1.21,;11.63,1.67,;11.65,3.22,;10.2,3.72,;9.58,5.14,;8.05,5.33,;7.12,4.1,;7.72,2.68,;9.27,2.48,;10.93,-2.68,;12.3,-1.94,;10.95,-4.24,)| Show InChI InChI=1S/C44H57N9O5/c1-2-3-20-38(54)53-44(23-21-31(22-24-44)30-15-8-5-9-16-30)42(58)52-37(26-29-13-6-4-7-14-29)41(57)50-35(19-12-25-48-43(46)47)40(56)51-36(39(45)55)27-32-28-49-34-18-11-10-17-33(32)34/h4-11,13-18,28,31,35-37,49H,2-3,12,19-27H2,1H3,(H2,45,55)(H,50,57)(H,51,56)(H,52,58)(H,53,54)(H4,46,47,48)/t31-,35-,36-,37+,44+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50174076
(4-(3,5-Dipropyl-phenyl)-1-pentanoylamino-cyclohexa...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1cc(CCC)cc(CCC)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:50.52,7.6,10.13,wD:7.26,28.29,39.41,(-7.64,-1.04,;-6.32,-1.81,;-4.99,-1.04,;-3.69,-1.82,;-2.34,-1.06,;-2.34,.47,;-1.03,-1.82,;-.62,-3.29,;-2.01,-2.67,;-3.22,-3.58,;-3.07,-5.08,;-1.7,-5.7,;-.46,-4.79,;-4.29,-5.95,;-4.13,-7.45,;-5.34,-8.36,;-5.19,-9.88,;-6.41,-10.76,;-6.25,-12.29,;-6.74,-7.74,;-6.89,-6.24,;-8.29,-5.62,;-8.44,-4.12,;-9.81,-3.5,;-5.68,-5.33,;.6,-2.39,;.42,-.89,;1.99,-3.01,;3.21,-2.1,;3.21,-.55,;3.6,.97,;5.13,1.39,;5.51,2.91,;4.39,4,;2.88,3.58,;2.49,2.06,;4.5,-2.98,;4.51,-4.53,;5.87,-2.26,;7.09,-3.14,;7.09,-4.71,;8.44,-5.49,;8.44,-7.04,;9.77,-7.76,;11.12,-8.59,;11.12,-10.14,;12.47,-7.82,;8.38,-2.28,;8.38,-.71,;9.75,-3.01,;10.97,-2.1,;10.97,-.55,;11.5,.9,;12.99,1.34,;13.04,2.89,;11.58,3.4,;10.99,4.85,;9.44,5.06,;8.5,3.84,;9.08,2.4,;10.63,2.19,;12.26,-2.98,;12.26,-4.53,;13.63,-2.26,;14.86,-3.14,;16.14,-2.28,;17.51,-3.01,;16.16,-.71,)| Show InChI InChI=1S/C52H72N10O6/c1-4-7-21-46(64)62-52(24-22-37(23-25-52)38-28-35(14-5-2)27-36(29-38)15-6-3)50(68)61-43(30-34-16-9-8-10-17-34)49(67)59-42(20-13-26-56-51(54)55)48(66)60-44(47(65)58-33-45(53)63)31-39-32-57-41-19-12-11-18-40(39)41/h8-12,16-19,27-29,32,37,42-44,57H,4-7,13-15,20-26,30-31,33H2,1-3H3,(H2,53,63)(H,58,65)(H,59,67)(H,60,66)(H,61,68)(H,62,64)(H4,54,55,56)/t37-,42-,43+,44-,52+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration required for cAMP accumulation mediated by human Melanocortin 1 receptor in HEK293 cells |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174077
(4-(4-Isopropoxy-phenyl)-1-pentanoylamino-cyclohexa...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OC(C)C)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:48.50,7.6,10.13,wD:7.24,26.27,37.39,(-3.92,-2.13,;-2.6,-2.89,;-1.27,-2.13,;.05,-2.9,;1.38,-2.14,;1.38,-.62,;2.7,-2.9,;3.08,-4.37,;1.69,-3.75,;.47,-4.63,;.63,-6.16,;2.02,-6.75,;3.24,-5.87,;-.59,-7.04,;-1.95,-6.41,;-3.19,-7.32,;-3.04,-8.82,;-4.25,-9.72,;-4.07,-11.22,;-5.31,-12.1,;-2.7,-11.84,;-1.64,-9.44,;-.43,-8.53,;4.3,-3.47,;4.14,-1.97,;5.69,-4.09,;6.91,-3.19,;6.91,-1.64,;7.32,-.11,;8.82,.3,;9.2,1.83,;8.09,2.94,;6.57,2.5,;6.18,.97,;8.2,-4.06,;8.2,-5.61,;9.57,-3.32,;10.78,-4.22,;10.78,-5.77,;12.12,-6.54,;12.12,-8.09,;13.47,-8.82,;14.81,-9.64,;14.81,-11.19,;16.15,-8.87,;12.07,-3.34,;12.1,-1.79,;13.44,-4.09,;14.68,-3.19,;14.68,-1.64,;15.2,-.16,;16.7,.28,;16.72,1.83,;15.28,2.34,;14.68,3.76,;13.16,3.97,;12.2,2.76,;12.8,1.31,;14.32,1.1,;15.97,-4.06,;15.97,-5.61,;17.34,-3.32,;18.56,-4.22,;19.85,-3.34,;21.22,-4.09,;19.85,-1.79,)| Show InChI InChI=1S/C49H66N10O7/c1-4-5-17-43(61)59-49(24-22-34(23-25-49)33-18-20-36(21-19-33)66-31(2)3)47(65)58-40(27-32-12-7-6-8-13-32)46(64)56-39(16-11-26-53-48(51)52)45(63)57-41(44(62)55-30-42(50)60)28-35-29-54-38-15-10-9-14-37(35)38/h6-10,12-15,18-21,29,31,34,39-41,54H,4-5,11,16-17,22-28,30H2,1-3H3,(H2,50,60)(H,55,62)(H,56,64)(H,57,63)(H,58,65)(H,59,61)(H4,51,52,53)/t34-,39-,40+,41-,49+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50174075
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:44.46,7.6,10.13,wD:7.20,22.23,33.35,(-8.92,-.75,;-7.61,-1.51,;-6.29,-.76,;-4.97,-1.52,;-3.64,-.76,;-3.64,.77,;-2.32,-1.53,;-1.94,-3,;-3.32,-2.38,;-4.53,-3.28,;-4.38,-4.78,;-2.99,-5.4,;-1.77,-4.5,;-5.6,-5.66,;-6.97,-5.04,;-8.2,-5.95,;-8.05,-7.44,;-6.65,-8.06,;-5.45,-7.16,;-.71,-2.1,;-.88,-.59,;.67,-2.71,;1.89,-1.82,;1.89,-.26,;2.3,1.26,;1.17,2.35,;1.56,3.87,;3.07,4.3,;4.19,3.19,;3.8,1.68,;3.18,-2.68,;3.18,-4.24,;4.53,-1.94,;5.77,-2.85,;5.77,-4.4,;7.11,-5.17,;7.11,-6.72,;8.44,-7.44,;9.79,-8.27,;9.79,-9.82,;11.13,-7.49,;7.05,-1.97,;7.06,-.42,;8.42,-2.71,;9.64,-1.82,;9.64,-.26,;10.15,1.21,;11.63,1.67,;11.65,3.22,;10.2,3.72,;9.58,5.14,;8.05,5.33,;7.12,4.1,;7.72,2.68,;9.27,2.48,;10.93,-2.68,;12.3,-1.94,;10.95,-4.24,)| Show InChI InChI=1S/C44H57N9O5/c1-2-3-20-38(54)53-44(23-21-31(22-24-44)30-15-8-5-9-16-30)42(58)52-37(26-29-13-6-4-7-14-29)41(57)50-35(19-12-25-48-43(46)47)40(56)51-36(39(45)55)27-32-28-49-34-18-11-10-17-33(32)34/h4-11,13-18,28,31,35-37,49H,2-3,12,19-27H2,1H3,(H2,45,55)(H,50,57)(H,51,56)(H,52,58)(H,53,54)(H4,46,47,48)/t31-,35-,36-,37+,44+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration required for cAMP accumulation mediated by human Melanocortin 1 receptor in HEK293 cells |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration required for cAMP accumulation mediated by human Melanocortin 1 receptor in HEK293 cells |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174079
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)Show SMILES CCCCC(=O)N[C@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:44.46,7.6,wD:7.20,22.23,33.35,10.13,(-4.1,-4.52,;-2.79,-5.28,;-1.46,-4.53,;-.15,-5.29,;1.16,-4.53,;1.16,-3.02,;2.48,-5.3,;2.86,-6.76,;3.02,-8.26,;1.81,-9.13,;.42,-8.53,;.27,-7.02,;1.47,-6.15,;-.79,-9.41,;-2.15,-8.8,;-3.38,-9.69,;-3.23,-11.19,;-1.84,-11.8,;-.63,-10.9,;4.07,-5.87,;3.91,-4.37,;5.46,-6.48,;6.66,-5.59,;6.66,-4.03,;7.08,-2.53,;5.94,-1.44,;6.33,.08,;7.85,.51,;8.95,-.6,;8.57,-2.11,;7.95,-6.45,;7.95,-8,;9.31,-5.71,;10.52,-6.61,;10.52,-8.16,;11.86,-8.93,;11.86,-10.47,;13.19,-11.19,;14.53,-12.01,;14.53,-13.55,;15.86,-11.24,;11.8,-5.74,;11.83,-4.2,;13.17,-6.48,;14.4,-5.59,;14.4,-4.03,;14.91,-2.58,;16.4,-2.14,;16.43,-.6,;14.99,-.09,;14.4,1.34,;12.88,1.54,;11.93,.33,;12.52,-1.11,;14.04,-1.31,;15.68,-6.45,;15.68,-8,;17.05,-5.71,;18.25,-6.61,;19.54,-5.74,;20.9,-6.48,;19.54,-4.2,)| Show InChI InChI=1S/C46H60N10O6/c1-2-3-20-40(58)56-46(23-21-32(22-24-46)31-15-8-5-9-16-31)44(62)55-37(26-30-13-6-4-7-14-30)43(61)53-36(19-12-25-50-45(48)49)42(60)54-38(41(59)52-29-39(47)57)27-33-28-51-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,51H,2-3,12,19-27,29H2,1H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t32-,36-,37+,38-,46-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174078
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:44.46,7.6,10.13,wD:7.20,22.23,33.35,(-8.42,-2.6,;-7.09,-3.35,;-5.77,-2.6,;-4.46,-3.37,;-3.15,-2.6,;-3.15,-1.09,;-1.84,-3.38,;-1.44,-4.83,;-2.83,-4.22,;-4.05,-5.1,;-3.88,-6.61,;-2.51,-7.21,;-1.29,-6.33,;-5.09,-7.49,;-6.47,-6.87,;-7.68,-7.76,;-7.53,-9.26,;-6.14,-9.87,;-4.93,-8.98,;-.23,-3.94,;-.39,-2.44,;1.16,-4.55,;2.36,-3.66,;2.36,-2.11,;2.76,-.6,;1.64,.49,;2.03,2,;3.55,2.43,;4.64,1.33,;4.25,-.18,;3.65,-4.52,;3.65,-6.07,;5.01,-3.79,;6.22,-4.69,;6.22,-6.23,;7.56,-7,;7.56,-8.54,;8.89,-9.26,;10.23,-10.08,;10.23,-11.63,;11.57,-9.31,;7.51,-3.81,;7.51,-2.27,;8.87,-4.55,;10.08,-3.66,;10.08,-2.11,;10.61,-.65,;12.09,-.21,;12.13,1.33,;10.69,1.84,;10.1,3.26,;8.57,3.47,;7.63,2.25,;8.21,.82,;9.74,.62,;11.37,-4.52,;11.37,-6.07,;12.73,-3.79,;13.96,-4.69,;15.22,-3.81,;16.59,-4.55,;15.24,-2.27,)| Show InChI InChI=1S/C46H60N10O6/c1-2-3-20-40(58)56-46(23-21-32(22-24-46)31-15-8-5-9-16-31)44(62)55-37(26-30-13-6-4-7-14-30)43(61)53-36(19-12-25-50-45(48)49)42(60)54-38(41(59)52-29-39(47)57)27-33-28-51-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,51H,2-3,12,19-27,29H2,1H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t32-,36-,37+,38-,46+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration for cAMP accumulation mediated by human Melanocortin 4 receptor in HEK293 cells |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174080
(4-(4-Hydroxy-phenyl)-1-pentanoylamino-cyclohexanec...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:45.47,7.6,10.13,wD:7.21,23.24,34.36,(-7.3,-1.92,;-5.98,-2.69,;-4.67,-1.92,;-3.35,-2.69,;-2.01,-1.94,;-2.01,-.41,;-.7,-2.69,;-.3,-4.17,;-1.68,-3.55,;-2.89,-4.45,;-2.74,-5.95,;-1.37,-6.57,;-.13,-5.66,;-3.97,-6.83,;-3.81,-8.32,;-5.01,-9.23,;-6.4,-8.61,;-7.64,-9.51,;-6.56,-7.11,;-5.35,-6.21,;.93,-3.26,;.75,-1.76,;2.31,-3.88,;3.54,-2.98,;3.54,-1.43,;3.93,.09,;2.81,1.18,;3.2,2.7,;4.71,3.12,;5.84,2.03,;5.45,.51,;4.81,-3.86,;4.83,-5.41,;6.18,-3.13,;7.41,-4.01,;7.41,-5.59,;8.75,-6.36,;8.75,-7.91,;10.08,-8.63,;11.44,-9.46,;11.44,-11.01,;12.78,-8.69,;8.7,-3.16,;8.7,-1.58,;10.07,-3.88,;11.29,-2.98,;11.29,-1.43,;11.81,.02,;13.3,.46,;13.35,2.01,;11.89,2.52,;11.29,3.97,;9.76,4.17,;8.81,2.96,;9.4,1.52,;10.95,1.31,;12.58,-3.86,;12.58,-5.41,;13.95,-3.13,;15.17,-4.01,;16.45,-3.16,;17.82,-3.88,;16.46,-1.58,)| Show InChI InChI=1S/C46H60N10O7/c1-2-3-15-40(59)56-46(22-20-31(21-23-46)30-16-18-33(57)19-17-30)44(63)55-37(25-29-10-5-4-6-11-29)43(62)53-36(14-9-24-50-45(48)49)42(61)54-38(41(60)52-28-39(47)58)26-32-27-51-35-13-8-7-12-34(32)35/h4-8,10-13,16-19,27,31,36-38,51,57H,2-3,9,14-15,20-26,28H2,1H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t31-,36-,37+,38-,46+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50174074
(4-(3-Methoxy-phenyl)-1-pentanoylamino-cyclohexanec...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1cccc(OC)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:46.48,7.6,10.13,wD:7.22,24.25,35.37,(-6.71,-2.94,;-5.4,-3.71,;-4.08,-2.96,;-2.77,-3.71,;-1.46,-2.96,;-1.46,-1.45,;-.15,-3.73,;.27,-5.19,;-1.12,-4.58,;-2.33,-5.46,;-2.18,-6.97,;-.81,-7.57,;.42,-6.68,;-3.38,-7.84,;-3.23,-9.33,;-4.44,-10.23,;-5.83,-9.61,;-5.98,-8.12,;-7.34,-7.51,;-8.58,-8.39,;-4.77,-7.22,;1.47,-4.29,;1.29,-2.8,;2.86,-4.91,;4.07,-4.01,;4.07,-2.47,;4.46,-.95,;5.97,-.54,;6.36,.98,;5.25,2.07,;3.74,1.64,;3.35,.13,;5.35,-4.88,;5.35,-6.43,;6.72,-4.15,;7.92,-5.04,;7.92,-6.59,;9.26,-7.36,;9.26,-8.9,;10.6,-9.62,;11.93,-10.44,;11.93,-11.99,;13.27,-9.67,;9.21,-4.17,;9.21,-2.62,;10.57,-4.91,;11.78,-4.01,;11.78,-2.47,;12.32,-1.01,;13.78,-.57,;13.84,.97,;12.4,1.48,;11.81,2.9,;10.26,3.11,;9.34,1.9,;9.9,.46,;11.45,.26,;13.07,-4.88,;13.07,-6.43,;14.43,-4.15,;15.66,-5.04,;16.92,-4.17,;18.28,-4.91,;16.95,-2.62,)| Show InChI InChI=1S/C47H62N10O7/c1-3-4-19-41(59)57-47(22-20-31(21-23-47)32-14-10-15-34(26-32)64-2)45(63)56-38(25-30-12-6-5-7-13-30)44(62)54-37(18-11-24-51-46(49)50)43(61)55-39(42(60)53-29-40(48)58)27-33-28-52-36-17-9-8-16-35(33)36/h5-10,12-17,26,28,31,37-39,52H,3-4,11,18-25,27,29H2,1-2H3,(H2,48,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,49,50,51)/t31-,37-,38+,39-,47+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration required for cAMP accumulation mediated by human Melanocortin 1 receptor in HEK293 cells |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174073
(4-(4-Ethoxy-phenyl)-1-pentanoylamino-cyclohexaneca...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OCC)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:47.49,7.6,10.13,wD:7.23,25.26,36.38,(-9.98,-.76,;-8.67,-1.52,;-7.33,-.76,;-6.02,-1.53,;-4.7,-.77,;-4.7,.75,;-3.39,-1.53,;-3,-3,;-4.37,-2.38,;-5.6,-3.28,;-5.42,-4.77,;-4.06,-5.39,;-2.82,-4.49,;-6.66,-5.65,;-6.48,-7.14,;-7.69,-8.04,;-9.08,-7.42,;-10.29,-8.32,;-10.14,-9.82,;-11.37,-10.72,;-9.23,-5.93,;-8.02,-5.03,;-1.77,-2.09,;-1.95,-.6,;-.4,-2.71,;.83,-1.81,;.83,-.27,;1.22,1.25,;.11,2.33,;.5,3.85,;1.99,4.27,;3.1,3.18,;2.71,1.66,;2.09,-2.69,;2.12,-4.23,;3.46,-1.97,;4.69,-2.84,;4.69,-4.41,;6.03,-5.18,;6.03,-6.73,;7.35,-7.45,;8.71,-8.27,;8.71,-9.82,;10.05,-7.5,;5.98,-1.99,;5.98,-.42,;7.35,-2.71,;8.56,-1.81,;8.56,-.27,;9.07,1.18,;10.56,1.61,;10.62,3.16,;9.15,3.67,;8.56,5.11,;7.04,5.32,;6.08,4.11,;6.68,2.67,;8.22,2.46,;9.84,-2.69,;9.84,-4.23,;11.21,-1.97,;12.42,-2.84,;13.71,-1.99,;15.07,-2.71,;13.71,-.42,)| Show InChI InChI=1S/C48H64N10O7/c1-3-5-17-42(60)58-48(24-22-33(23-25-48)32-18-20-35(21-19-32)65-4-2)46(64)57-39(27-31-12-7-6-8-13-31)45(63)55-38(16-11-26-52-47(50)51)44(62)56-40(43(61)54-30-41(49)59)28-34-29-53-37-15-10-9-14-36(34)37/h6-10,12-15,18-21,29,33,38-40,53H,3-5,11,16-17,22-28,30H2,1-2H3,(H2,49,59)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,60)(H4,50,51,52)/t33-,38-,39+,40-,48+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174081
(1-Pentanoylamino-4-p-tolyl-cyclohexanecarboxylic a...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(C)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:45.47,7.6,10.13,wD:7.21,23.24,34.36,(-6.56,-.52,;-5.24,-1.29,;-3.93,-.52,;-2.6,-1.3,;-1.28,-.54,;-1.28,.98,;.03,-1.3,;.42,-2.76,;-.95,-2.15,;-2.16,-3.05,;-2.01,-4.54,;-.64,-5.16,;.59,-4.26,;-3.24,-5.42,;-3.06,-6.91,;-4.27,-7.81,;-5.66,-7.19,;-6.89,-8.09,;-5.82,-5.7,;-4.6,-4.8,;1.63,-1.86,;1.48,-.37,;3.02,-2.48,;4.25,-1.58,;4.25,-.03,;4.64,1.48,;3.53,2.57,;3.91,4.08,;5.42,4.5,;6.54,3.42,;6.15,1.9,;5.52,-2.45,;5.54,-4,;6.88,-1.73,;8.11,-2.61,;8.11,-4.18,;9.45,-4.95,;9.45,-6.5,;10.77,-7.22,;12.13,-8.04,;12.13,-9.59,;13.46,-7.27,;9.4,-1.76,;9.41,-.19,;10.76,-2.48,;11.98,-1.58,;11.98,-.03,;12.5,1.41,;13.99,1.85,;14.03,3.39,;12.57,3.9,;11.98,5.35,;10.46,5.55,;9.51,4.34,;10.1,2.9,;11.64,2.69,;13.27,-2.45,;13.27,-4,;14.63,-1.73,;15.84,-2.61,;17.13,-1.76,;18.49,-2.48,;17.13,-.19,)| Show InChI InChI=1S/C47H62N10O6/c1-3-4-16-41(59)57-47(23-21-33(22-24-47)32-19-17-30(2)18-20-32)45(63)56-38(26-31-11-6-5-7-12-31)44(62)54-37(15-10-25-51-46(49)50)43(61)55-39(42(60)53-29-40(48)58)27-34-28-52-36-14-9-8-13-35(34)36/h5-9,11-14,17-20,28,33,37-39,52H,3-4,10,15-16,21-27,29H2,1-2H3,(H2,48,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,49,50,51)/t33-,37-,38+,39-,47+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174082
(4-Phenyl-cyclohexanecarboxylic acid ((R)-1-{(S)-1-...)Show SMILES NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@H](CC1)c1ccccc1 |wU:7.19,46.52,wD:32.42,21.30,43.45,(14.97,-2.42,;13.61,-1.69,;13.61,-.14,;12.33,-2.55,;11.12,-1.67,;9.76,-2.4,;9.76,-3.94,;8.48,-1.52,;8.48,.02,;8.99,1.46,;10.48,1.9,;10.51,3.44,;9.07,3.95,;8.48,5.38,;6.96,5.59,;6.01,4.38,;6.61,2.94,;8.12,2.74,;7.25,-2.42,;5.89,-1.69,;5.91,-.14,;4.6,-2.55,;4.6,-4.11,;5.94,-4.88,;5.94,-6.42,;7.27,-7.14,;8.61,-7.96,;8.61,-9.5,;9.94,-7.19,;3.4,-1.67,;2.04,-2.4,;2.04,-3.94,;.75,-1.52,;.75,.02,;1.16,1.53,;2.65,1.94,;3.04,3.46,;1.93,4.54,;.42,4.12,;.03,2.61,;-.45,-2.42,;-1.84,-1.81,;-1.99,-.32,;-3.05,-2.7,;-4.43,-2.09,;-5.64,-2.98,;-5.48,-4.47,;-4.1,-5.08,;-2.89,-4.19,;-6.69,-5.35,;-6.54,-6.84,;-7.74,-7.73,;-9.13,-7.12,;-9.28,-5.63,;-8.05,-4.73,)| Show InChI InChI=1S/C41H51N9O5/c42-36(51)25-47-38(53)35(23-30-24-46-32-15-8-7-14-31(30)32)50-39(54)33(16-9-21-45-41(43)44)48-40(55)34(22-26-10-3-1-4-11-26)49-37(52)29-19-17-28(18-20-29)27-12-5-2-6-13-27/h1-8,10-15,24,28-29,33-35,46H,9,16-23,25H2,(H2,42,51)(H,47,53)(H,48,55)(H,49,52)(H,50,54)(H4,43,44,45)/t28-,29-,33-,34+,35-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121885
((S)-2-{(R)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30-,31-/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration for cAMP accumulation mediated by human Melanocortin 4 receptor in HEK293 cells |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174083
(4-(4-Chloro-phenyl)-1-pentanoylamino-cyclohexaneca...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:45.47,7.6,10.13,wD:7.21,23.24,34.36,(-4.08,-1.6,;-2.77,-2.37,;-1.46,-1.6,;-.15,-2.38,;1.18,-1.62,;1.18,-.1,;2.5,-2.38,;2.88,-3.84,;1.5,-3.23,;.29,-4.13,;.45,-5.62,;1.83,-6.24,;3.05,-5.34,;-.77,-6.5,;-.61,-7.99,;-1.82,-8.89,;-3.21,-8.27,;-4.43,-9.17,;-3.36,-6.78,;-2.14,-5.88,;4.09,-2.94,;3.94,-1.45,;5.48,-3.56,;6.7,-2.66,;6.7,-1.12,;7.11,.4,;5.98,1.48,;6.37,3,;7.88,3.42,;8.99,2.33,;8.61,.82,;7.98,-3.54,;7.99,-5.08,;9.35,-2.81,;10.56,-3.69,;10.56,-5.26,;11.9,-6.03,;11.9,-7.58,;13.23,-8.3,;14.58,-9.12,;14.58,-10.67,;15.92,-8.35,;11.85,-2.84,;11.87,-1.27,;13.22,-3.56,;14.44,-2.66,;14.44,-1.12,;14.96,.33,;16.45,.76,;16.49,2.31,;15.04,2.82,;14.44,4.27,;12.92,4.47,;11.97,3.26,;12.56,1.82,;14.09,1.61,;15.73,-3.54,;15.73,-5.08,;17.09,-2.81,;18.31,-3.69,;19.59,-2.84,;20.96,-3.56,;19.59,-1.27,)| Show InChI InChI=1S/C46H59ClN10O6/c1-2-3-15-40(59)57-46(22-20-31(21-23-46)30-16-18-33(47)19-17-30)44(63)56-37(25-29-10-5-4-6-11-29)43(62)54-36(14-9-24-51-45(49)50)42(61)55-38(41(60)53-28-39(48)58)26-32-27-52-35-13-8-7-12-34(32)35/h4-8,10-13,16-19,27,31,36-38,52H,2-3,9,14-15,20-26,28H2,1H3,(H2,48,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,49,50,51)/t31-,36-,37+,38-,46+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50174079
(1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic ac...)Show SMILES CCCCC(=O)N[C@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:44.46,7.6,wD:7.20,22.23,33.35,10.13,(-4.1,-4.52,;-2.79,-5.28,;-1.46,-4.53,;-.15,-5.29,;1.16,-4.53,;1.16,-3.02,;2.48,-5.3,;2.86,-6.76,;3.02,-8.26,;1.81,-9.13,;.42,-8.53,;.27,-7.02,;1.47,-6.15,;-.79,-9.41,;-2.15,-8.8,;-3.38,-9.69,;-3.23,-11.19,;-1.84,-11.8,;-.63,-10.9,;4.07,-5.87,;3.91,-4.37,;5.46,-6.48,;6.66,-5.59,;6.66,-4.03,;7.08,-2.53,;5.94,-1.44,;6.33,.08,;7.85,.51,;8.95,-.6,;8.57,-2.11,;7.95,-6.45,;7.95,-8,;9.31,-5.71,;10.52,-6.61,;10.52,-8.16,;11.86,-8.93,;11.86,-10.47,;13.19,-11.19,;14.53,-12.01,;14.53,-13.55,;15.86,-11.24,;11.8,-5.74,;11.83,-4.2,;13.17,-6.48,;14.4,-5.59,;14.4,-4.03,;14.91,-2.58,;16.4,-2.14,;16.43,-.6,;14.99,-.09,;14.4,1.34,;12.88,1.54,;11.93,.33,;12.52,-1.11,;14.04,-1.31,;15.68,-6.45,;15.68,-8,;17.05,-5.71,;18.25,-6.61,;19.54,-5.74,;20.9,-6.48,;19.54,-4.2,)| Show InChI InChI=1S/C46H60N10O6/c1-2-3-20-40(58)56-46(23-21-32(22-24-46)31-15-8-5-9-16-31)44(62)55-37(26-30-13-6-4-7-14-30)43(61)53-36(19-12-25-50-45(48)49)42(60)54-38(41(59)52-29-39(47)57)27-33-28-51-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,51H,2-3,12,19-27,29H2,1H3,(H2,47,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,50)/t32-,36-,37+,38-,46-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration required for cAMP accumulation mediated by human Melanocortin 1 receptor in HEK293 cells |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50174080
(4-(4-Hydroxy-phenyl)-1-pentanoylamino-cyclohexanec...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:45.47,7.6,10.13,wD:7.21,23.24,34.36,(-7.3,-1.92,;-5.98,-2.69,;-4.67,-1.92,;-3.35,-2.69,;-2.01,-1.94,;-2.01,-.41,;-.7,-2.69,;-.3,-4.17,;-1.68,-3.55,;-2.89,-4.45,;-2.74,-5.95,;-1.37,-6.57,;-.13,-5.66,;-3.97,-6.83,;-3.81,-8.32,;-5.01,-9.23,;-6.4,-8.61,;-7.64,-9.51,;-6.56,-7.11,;-5.35,-6.21,;.93,-3.26,;.75,-1.76,;2.31,-3.88,;3.54,-2.98,;3.54,-1.43,;3.93,.09,;2.81,1.18,;3.2,2.7,;4.71,3.12,;5.84,2.03,;5.45,.51,;4.81,-3.86,;4.83,-5.41,;6.18,-3.13,;7.41,-4.01,;7.41,-5.59,;8.75,-6.36,;8.75,-7.91,;10.08,-8.63,;11.44,-9.46,;11.44,-11.01,;12.78,-8.69,;8.7,-3.16,;8.7,-1.58,;10.07,-3.88,;11.29,-2.98,;11.29,-1.43,;11.81,.02,;13.3,.46,;13.35,2.01,;11.89,2.52,;11.29,3.97,;9.76,4.17,;8.81,2.96,;9.4,1.52,;10.95,1.31,;12.58,-3.86,;12.58,-5.41,;13.95,-3.13,;15.17,-4.01,;16.45,-3.16,;17.82,-3.88,;16.46,-1.58,)| Show InChI InChI=1S/C46H60N10O7/c1-2-3-15-40(59)56-46(22-20-31(21-23-46)30-16-18-33(57)19-17-30)44(63)55-37(25-29-10-5-4-6-11-29)43(62)53-36(14-9-24-50-45(48)49)42(61)54-38(41(60)52-28-39(47)58)26-32-27-51-35-13-8-7-12-34(32)35/h4-8,10-13,16-19,27,31,36-38,51,57H,2-3,9,14-15,20-26,28H2,1H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t31-,36-,37+,38-,46+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration required for cAMP accumulation mediated by human Melanocortin 1 receptor in HEK293 cells |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174084
(4-(4-Methoxy-phenyl)-1-pentanoylamino-cyclohexanec...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(OC)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:46.48,7.6,10.13,wD:7.22,24.25,35.37,(-8.22,-.98,;-6.91,-1.73,;-5.6,-.99,;-4.29,-1.75,;-2.96,-.99,;-2.96,.53,;-1.65,-1.76,;-1.25,-3.22,;-2.64,-2.61,;-3.85,-3.5,;-3.7,-5,;-2.31,-5.61,;-1.1,-4.72,;-4.9,-5.87,;-4.75,-7.36,;-5.96,-8.27,;-7.35,-7.65,;-8.56,-8.55,;-8.4,-10.04,;-7.5,-6.16,;-6.28,-5.26,;-.04,-2.32,;-.2,-.83,;1.35,-2.94,;2.56,-2.04,;2.56,-.5,;2.94,1.02,;4.46,1.43,;4.84,2.95,;3.74,4.04,;2.22,3.62,;1.83,2.1,;3.84,-2.92,;3.84,-4.46,;5.2,-2.19,;6.41,-3.07,;6.41,-4.63,;7.75,-5.4,;7.75,-6.94,;9.09,-7.66,;10.43,-8.49,;10.43,-10.03,;11.76,-7.72,;7.7,-2.21,;7.72,-.65,;9.06,-2.94,;10.29,-2.04,;10.29,-.5,;10.81,.95,;12.29,1.39,;12.33,2.93,;10.89,3.45,;10.3,4.88,;8.77,5.08,;7.83,3.88,;8.41,2.43,;9.94,2.23,;11.57,-2.92,;11.57,-4.46,;12.94,-2.19,;14.16,-3.07,;15.43,-2.21,;16.8,-2.94,;15.44,-.65,)| Show InChI InChI=1S/C47H62N10O7/c1-3-4-16-41(59)57-47(23-21-32(22-24-47)31-17-19-34(64-2)20-18-31)45(63)56-38(26-30-11-6-5-7-12-30)44(62)54-37(15-10-25-51-46(49)50)43(61)55-39(42(60)53-29-40(48)58)27-33-28-52-36-14-9-8-13-35(33)36/h5-9,11-14,17-20,28,32,37-39,52H,3-4,10,15-16,21-27,29H2,1-2H3,(H2,48,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,49,50,51)/t32-,37-,38+,39-,47+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50121890
(2-Pentanoylamino-1,2,3,4-tetrahydro-naphthalene-2-...)Show SMILES CCCCC(=O)N[C@]1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:7.6,20.22,31.34,wD:42.45,(4.56,-4.81,;5.18,-6.21,;4.27,-7.45,;4.88,-8.87,;3.94,-10.11,;2.43,-9.92,;4.56,-11.51,;3.64,-12.75,;2.71,-14.01,;1.17,-13.82,;.56,-12.4,;-.98,-12.19,;-1.56,-10.76,;-.63,-9.55,;.89,-9.74,;1.49,-11.14,;3.03,-11.32,;5.02,-13.45,;5.13,-14.85,;6.46,-12.54,;7.79,-13.31,;7.79,-14.85,;9.15,-15.62,;10.48,-14.85,;11.81,-15.62,;11.81,-17.16,;10.48,-17.93,;9.12,-17.16,;9.15,-12.54,;9.15,-11,;10.48,-13.31,;11.81,-12.54,;11.81,-11,;13.16,-10.23,;13.16,-8.69,;14.49,-7.92,;14.49,-6.35,;15.82,-5.58,;13.16,-5.58,;13.16,-13.31,;13.14,-14.85,;14.49,-12.54,;15.82,-13.31,;15.82,-14.85,;17.15,-15.62,;18.57,-15.01,;19.6,-16.15,;18.81,-17.48,;19.28,-18.95,;18.27,-20.1,;16.75,-19.77,;16.29,-18.3,;17.31,-17.16,;17.15,-12.54,;17.17,-11,;18.5,-13.31,;19.83,-12.54,;21.16,-13.31,;22.49,-12.54,;21.16,-14.87,)| Show InChI InChI=1S/C44H56N10O6/c1-2-3-19-38(56)54-44(21-20-29-14-7-8-15-30(29)25-44)42(60)53-35(23-28-12-5-4-6-13-28)41(59)51-34(18-11-22-48-43(46)47)40(58)52-36(39(57)50-27-37(45)55)24-31-26-49-33-17-10-9-16-32(31)33/h4-10,12-17,26,34-36,49H,2-3,11,18-25,27H2,1H3,(H2,45,55)(H,50,57)(H,51,59)(H,52,58)(H,53,60)(H,54,56)(H4,46,47,48)/t34-,35+,36-,44?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Effective concentration required for cAMP accumulation mediated by human Melanocortin 1 receptor in HEK293 cells |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174074
(4-(3-Methoxy-phenyl)-1-pentanoylamino-cyclohexanec...)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1cccc(OC)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:46.48,7.6,10.13,wD:7.22,24.25,35.37,(-6.71,-2.94,;-5.4,-3.71,;-4.08,-2.96,;-2.77,-3.71,;-1.46,-2.96,;-1.46,-1.45,;-.15,-3.73,;.27,-5.19,;-1.12,-4.58,;-2.33,-5.46,;-2.18,-6.97,;-.81,-7.57,;.42,-6.68,;-3.38,-7.84,;-3.23,-9.33,;-4.44,-10.23,;-5.83,-9.61,;-5.98,-8.12,;-7.34,-7.51,;-8.58,-8.39,;-4.77,-7.22,;1.47,-4.29,;1.29,-2.8,;2.86,-4.91,;4.07,-4.01,;4.07,-2.47,;4.46,-.95,;5.97,-.54,;6.36,.98,;5.25,2.07,;3.74,1.64,;3.35,.13,;5.35,-4.88,;5.35,-6.43,;6.72,-4.15,;7.92,-5.04,;7.92,-6.59,;9.26,-7.36,;9.26,-8.9,;10.6,-9.62,;11.93,-10.44,;11.93,-11.99,;13.27,-9.67,;9.21,-4.17,;9.21,-2.62,;10.57,-4.91,;11.78,-4.01,;11.78,-2.47,;12.32,-1.01,;13.78,-.57,;13.84,.97,;12.4,1.48,;11.81,2.9,;10.26,3.11,;9.34,1.9,;9.9,.46,;11.45,.26,;13.07,-4.88,;13.07,-6.43,;14.43,-4.15,;15.66,-5.04,;16.92,-4.17,;18.28,-4.91,;16.95,-2.62,)| Show InChI InChI=1S/C47H62N10O7/c1-3-4-19-41(59)57-47(22-20-31(21-23-47)32-14-10-15-34(26-32)64-2)45(63)56-38(25-30-12-6-5-7-13-30)44(62)54-37(18-11-24-51-46(49)50)43(61)55-39(42(60)53-29-40(48)58)27-33-28-52-36-17-9-8-16-35(33)36/h5-10,12-17,26,28,31,37-39,52H,3-4,11,18-25,27,29H2,1-2H3,(H2,48,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,49,50,51)/t31-,37-,38+,39-,47+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121890
(2-Pentanoylamino-1,2,3,4-tetrahydro-naphthalene-2-...)Show SMILES CCCCC(=O)N[C@]1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:7.6,20.22,31.34,wD:42.45,(4.56,-4.81,;5.18,-6.21,;4.27,-7.45,;4.88,-8.87,;3.94,-10.11,;2.43,-9.92,;4.56,-11.51,;3.64,-12.75,;2.71,-14.01,;1.17,-13.82,;.56,-12.4,;-.98,-12.19,;-1.56,-10.76,;-.63,-9.55,;.89,-9.74,;1.49,-11.14,;3.03,-11.32,;5.02,-13.45,;5.13,-14.85,;6.46,-12.54,;7.79,-13.31,;7.79,-14.85,;9.15,-15.62,;10.48,-14.85,;11.81,-15.62,;11.81,-17.16,;10.48,-17.93,;9.12,-17.16,;9.15,-12.54,;9.15,-11,;10.48,-13.31,;11.81,-12.54,;11.81,-11,;13.16,-10.23,;13.16,-8.69,;14.49,-7.92,;14.49,-6.35,;15.82,-5.58,;13.16,-5.58,;13.16,-13.31,;13.14,-14.85,;14.49,-12.54,;15.82,-13.31,;15.82,-14.85,;17.15,-15.62,;18.57,-15.01,;19.6,-16.15,;18.81,-17.48,;19.28,-18.95,;18.27,-20.1,;16.75,-19.77,;16.29,-18.3,;17.31,-17.16,;17.15,-12.54,;17.17,-11,;18.5,-13.31,;19.83,-12.54,;21.16,-13.31,;22.49,-12.54,;21.16,-14.87,)| Show InChI InChI=1S/C44H56N10O6/c1-2-3-19-38(56)54-44(21-20-29-14-7-8-15-30(29)25-44)42(60)53-35(23-28-12-5-4-6-13-28)41(59)51-34(18-11-22-48-43(46)47)40(58)52-36(39(57)50-27-37(45)55)24-31-26-49-33-17-10-9-16-32(31)33/h4-10,12-17,26,34-36,49H,2-3,11,18-25,27H2,1H3,(H2,45,55)(H,50,57)(H,51,59)(H,52,58)(H,53,60)(H,54,56)(H4,46,47,48)/t34-,35+,36-,44?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 830 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement |
Bioorg Med Chem Lett 15: 4910-4 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.012
BindingDB Entry DOI: 10.7270/Q28915D1 |
More data for this
Ligand-Target Pair | |
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