Found 37 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 |
|---|
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174871
(CHEMBL372201 | X1-Apc-DPhe-Arg-Trp-Z10-NH2)Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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)NCc1ccc(cc1)C(N)=O |wU:32.34,9.12,21.22,6.5,wD:6.19,43.45,(-1.97,-35.98,;-.64,-35.21,;.69,-35.98,;2.02,-35.21,;2.02,-33.66,;3.36,-35.98,;4.7,-35.21,;6.04,-34.44,;6.04,-32.91,;4.71,-32.14,;3.38,-32.9,;3.37,-34.44,;4.72,-30.61,;6.06,-29.85,;6.06,-28.31,;4.73,-27.54,;3.4,-28.31,;3.4,-29.84,;6.03,-35.98,;6.03,-37.52,;7.37,-35.21,;8.71,-35.98,;8.71,-37.52,;10.04,-38.3,;10.03,-39.84,;11.37,-40.61,;12.71,-39.84,;12.7,-38.29,;11.37,-37.52,;10.04,-35.21,;10.04,-33.66,;11.38,-35.98,;12.72,-35.21,;12.72,-33.66,;14.05,-32.89,;14.05,-31.34,;15.39,-30.58,;15.39,-29.03,;16.73,-28.26,;14.05,-28.26,;14.05,-35.98,;14.05,-37.52,;15.39,-35.21,;16.73,-35.98,;16.73,-37.52,;18.07,-38.3,;19.41,-37.51,;20.52,-38.81,;19.75,-40.15,;20.22,-41.61,;19.19,-42.76,;17.67,-42.44,;17.2,-40.97,;18.24,-39.82,;18.07,-35.21,;18.07,-33.66,;19.41,-35.98,;20.73,-35.2,;22.07,-35.97,;22.06,-37.51,;23.39,-38.27,;24.72,-37.5,;24.71,-35.96,;23.38,-35.2,;26.05,-38.26,;27.38,-37.49,;26.06,-39.8,)| Show InChI InChI=1S/C51H62N10O6/c1-2-12-44(62)61-51(26-24-36(25-27-51)35-15-7-4-8-16-35)49(67)60-42(29-33-13-5-3-6-14-33)48(66)58-41(19-11-28-55-50(53)54)47(65)59-43(30-38-32-56-40-18-10-9-17-39(38)40)46(64)57-31-34-20-22-37(23-21-34)45(52)63/h3-10,13-18,20-23,32,36,41-43,56H,2,11-12,19,24-31H2,1H3,(H2,52,63)(H,57,64)(H,58,66)(H,59,65)(H,60,67)(H,61,62)(H4,53,54,55)/t36-,41-,42+,43-,51+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50174874
(Bu-His-DPhe-Arg-2-Nal-Gly-NH2 | CHEMBL369867)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCC(N)=O |wU:16.16,27.28,6.5,(-6.26,-5.82,;-4.92,-5.06,;-3.6,-5.83,;-2.27,-5.06,;-2.27,-3.52,;-.93,-5.83,;.4,-5.06,;.4,-3.52,;1.74,-2.75,;3.13,-3.37,;4.16,-2.22,;3.39,-.89,;1.89,-1.21,;1.74,-5.83,;1.74,-7.37,;3.07,-5.06,;4.41,-5.83,;4.41,-7.37,;5.73,-8.14,;5.73,-9.68,;7.06,-10.44,;8.39,-9.68,;8.39,-8.13,;7.05,-7.36,;5.73,-5.06,;5.73,-3.52,;7.07,-5.83,;8.4,-5.06,;8.4,-3.52,;9.73,-2.75,;9.73,-1.21,;11.07,-.44,;11.07,1.1,;12.4,1.87,;9.73,1.87,;9.73,-5.83,;9.73,-7.37,;11.07,-5.06,;12.4,-5.83,;12.4,-7.37,;13.74,-8.14,;15.06,-7.37,;16.39,-8.13,;16.4,-9.69,;17.72,-10.46,;17.73,-11.99,;16.38,-12.77,;15.05,-11.99,;15.06,-10.45,;13.72,-9.68,;13.74,-5.06,;13.74,-3.52,;15.07,-5.83,;16.39,-5.06,;17.73,-5.82,;19.05,-5.05,;17.72,-7.35,)| Show InChI InChI=1S/C40H51N11O6/c1-2-9-35(53)48-33(21-29-22-44-24-47-29)39(57)51-32(19-25-10-4-3-5-11-25)38(56)49-30(14-8-17-45-40(42)43)37(55)50-31(36(54)46-23-34(41)52)20-26-15-16-27-12-6-7-13-28(27)18-26/h3-7,10-13,15-16,18,22,24,30-33H,2,8-9,14,17,19-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,42,43,45)/t30-,31?,32+,33-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC1R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174864
(CHEMBL200614 | X2-Apc-DPhe-Arg-Trp-Z3-NH2)Show SMILES CCCCNC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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)N[C@@H](C)C(N)=O |wU:34.36,11.14,23.24,59.64,8.7,wD:8.21,45.47,(-3.29,-37.32,;-1.95,-36.55,;-.63,-37.32,;.71,-36.55,;2.03,-37.32,;3.37,-36.54,;3.37,-35.01,;4.7,-37.32,;6.04,-36.54,;7.38,-35.78,;7.38,-34.25,;6.05,-33.47,;4.72,-34.24,;4.72,-35.78,;6.06,-31.94,;7.4,-31.18,;7.4,-29.65,;6.08,-28.87,;4.74,-29.64,;4.74,-31.18,;7.37,-37.32,;7.37,-38.86,;8.71,-36.54,;10.05,-37.32,;10.05,-38.86,;11.39,-39.63,;11.38,-41.18,;12.72,-41.94,;14.05,-41.18,;14.05,-39.63,;12.71,-38.86,;11.39,-36.54,;11.39,-35.01,;12.72,-37.32,;14.06,-36.54,;14.06,-35.01,;15.4,-34.23,;15.4,-32.68,;16.73,-31.92,;16.73,-30.37,;18.07,-29.59,;15.4,-29.59,;15.4,-37.32,;15.4,-38.86,;16.73,-36.54,;18.07,-37.32,;18.07,-38.86,;19.41,-39.63,;20.76,-38.85,;21.86,-40.14,;21.09,-41.48,;21.57,-42.95,;20.54,-44.09,;19.02,-43.77,;18.55,-42.3,;19.58,-41.16,;19.41,-36.54,;19.41,-35.01,;20.75,-37.32,;22.08,-36.54,;22.07,-35,;23.42,-37.3,;24.74,-36.53,;23.42,-38.84,)| Show InChI InChI=1S/C47H63N11O6/c1-3-4-25-52-46(64)58-47(23-21-33(22-24-47)32-16-9-6-10-17-32)44(63)57-38(27-31-14-7-5-8-15-31)43(62)55-37(20-13-26-51-45(49)50)41(60)56-39(42(61)54-30(2)40(48)59)28-34-29-53-36-19-12-11-18-35(34)36/h5-12,14-19,29-30,33,37-39,53H,3-4,13,20-28H2,1-2H3,(H2,48,59)(H,54,61)(H,55,62)(H,56,60)(H,57,63)(H4,49,50,51)(H2,52,58,64)/t30-,33-,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
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174869
(CHEMBL409588 | X3-Apc-DPhe-Arg-Trp-Z8-NH2)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]1(CC[C@@H](CC1)c1ccccc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(N)=O |wU:7.7,25.29,11.19,22.36,wD:47.50,22.22,(16.88,-28.19,;15.54,-28.96,;14.2,-28.19,;15.54,-30.51,;14.2,-31.28,;14.2,-32.82,;12.86,-33.6,;12.86,-35.15,;11.52,-35.92,;10.18,-35.15,;10.18,-33.6,;8.85,-35.92,;8.85,-37.46,;10.18,-38.24,;10.17,-39.79,;11.51,-40.55,;12.85,-39.78,;12.84,-38.23,;11.5,-37.46,;7.51,-35.15,;6.17,-35.92,;6.17,-37.46,;4.83,-35.15,;6.17,-34.38,;6.17,-32.85,;4.84,-32.07,;3.51,-32.84,;3.5,-34.38,;4.85,-30.54,;6.19,-29.78,;6.19,-28.24,;4.86,-27.47,;3.52,-28.24,;3.53,-29.77,;3.49,-35.92,;2.15,-35.15,;2.15,-33.6,;.82,-35.92,;-.52,-35.15,;-.51,-33.61,;-1.84,-32.85,;-3.17,-33.62,;-3.17,-35.16,;-1.83,-35.92,;14.2,-35.92,;14.2,-37.46,;15.54,-35.15,;16.88,-35.92,;16.88,-37.46,;18.21,-38.24,;19.56,-37.45,;20.66,-38.75,;19.9,-40.09,;20.37,-41.55,;19.34,-42.7,;17.82,-42.38,;17.35,-40.91,;18.38,-39.77,;18.21,-35.15,;18.21,-33.6,;19.55,-35.92,;20.88,-35.14,;22.22,-35.91,;22.21,-37.45,;23.54,-38.21,;24.88,-37.44,;24.87,-35.89,;23.53,-35.14,;26.19,-35.12,;27.53,-35.88,;26.18,-33.58,)| Show InChI InChI=1S/C55H62N10O6/c56-49(67)41-21-12-18-38(30-41)34-61-50(68)47(33-42-35-60-44-23-11-10-22-43(42)44)63-51(69)45(24-13-29-59-54(57)58)62-52(70)46(31-36-14-4-1-5-15-36)64-53(71)55(65-48(66)32-37-16-6-2-7-17-37)27-25-40(26-28-55)39-19-8-3-9-20-39/h1-12,14-23,30,35,40,45-47,60H,13,24-29,31-34H2,(H2,56,67)(H,61,68)(H,62,70)(H,63,69)(H,64,71)(H,65,66)(H4,57,58,59)/t40-,45-,46+,47-,55+/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
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
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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| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174875
(CHEMBL414670 | X2-5-BrAtc-DPhe-Arg-Trp-Z9-NH2)Show SMILES CCCCNC(=O)NC1(CCc2c(Br)cccc2C1)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)Nc1ccccc1C(N)=O |wU:33.35,22.23,wD:44.46,(-12.69,-41.5,;-11.35,-40.73,;-10.02,-41.49,;-8.68,-40.73,;-7.36,-41.49,;-6.03,-40.72,;-6.03,-39.17,;-4.69,-41.49,;-3.34,-40.72,;-2.01,-39.95,;-2,-38.43,;-3.33,-37.65,;-3.34,-36.12,;-2,-35.37,;-4.66,-35.36,;-5.99,-36.13,;-5.98,-37.65,;-4.67,-38.41,;-4.67,-39.96,;-2.01,-41.49,;-2.01,-43.03,;-.68,-40.72,;.67,-41.49,;.67,-43.03,;1.99,-43.81,;1.98,-45.35,;3.32,-46.12,;4.66,-45.35,;4.66,-43.81,;3.32,-43.03,;1.99,-40.72,;1.99,-39.17,;3.33,-41.49,;4.67,-40.72,;4.67,-39.17,;6,-38.41,;6,-36.86,;7.35,-36.1,;7.35,-34.55,;8.68,-33.77,;6,-33.77,;6,-41.49,;6,-43.03,;7.35,-40.72,;8.68,-41.49,;8.68,-43.03,;10.02,-43.81,;11.36,-43.03,;12.46,-44.32,;11.69,-45.66,;12.17,-47.12,;11.14,-48.27,;9.63,-47.95,;9.15,-46.48,;10.19,-45.34,;10.02,-40.72,;10.02,-39.17,;11.36,-41.49,;12.68,-40.72,;13.43,-42.06,;14.96,-42.08,;15.74,-40.75,;14.98,-39.41,;13.45,-39.4,;12.69,-38.07,;13.47,-36.74,;11.16,-38.06,)| Show InChI InChI=1S/C49H58BrN11O6/c1-2-3-24-55-48(67)61-49(23-22-33-31(28-49)15-11-18-36(33)50)46(66)60-40(26-30-13-5-4-6-14-30)44(64)58-39(21-12-25-54-47(52)53)43(63)59-41(27-32-29-56-37-19-9-7-16-34(32)37)45(65)57-38-20-10-8-17-35(38)42(51)62/h4-11,13-20,29,39-41,56H,2-3,12,21-28H2,1H3,(H2,51,62)(H,57,65)(H,58,64)(H,59,63)(H,60,66)(H4,52,53,54)(H2,55,61,67)/t39-,40+,41-,49?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174876
(CHEMBL383143 | X1-Apc-DPhe-Arg-Trp-Z3-NH2)Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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)N[C@@H](C)C(N)=O |wU:32.34,9.12,21.22,6.5,57.62,wD:6.19,43.45,(-6.2,-41.29,;-4.87,-40.52,;-3.54,-41.29,;-2.21,-40.52,;-2.21,-38.98,;-.87,-41.29,;.48,-40.52,;1.81,-39.76,;1.81,-38.23,;.48,-37.45,;-.86,-38.21,;-.86,-39.76,;.49,-35.92,;1.82,-35.15,;1.83,-33.63,;.5,-32.85,;-.84,-33.62,;-.84,-35.15,;1.8,-41.29,;1.8,-42.83,;3.14,-40.52,;4.48,-41.29,;4.48,-42.83,;5.81,-43.61,;5.8,-45.15,;7.14,-45.92,;8.48,-45.15,;8.47,-43.6,;7.13,-42.84,;5.81,-40.52,;5.81,-38.98,;7.15,-41.29,;8.48,-40.52,;8.48,-38.98,;9.82,-38.2,;9.82,-36.66,;11.16,-35.89,;11.16,-34.35,;12.5,-33.57,;9.82,-33.57,;9.82,-41.29,;9.82,-42.83,;11.16,-40.52,;12.5,-41.29,;12.5,-42.83,;13.84,-43.61,;15.18,-42.82,;16.29,-44.12,;15.51,-45.46,;15.98,-46.92,;14.96,-48.06,;13.44,-47.75,;12.97,-46.28,;14.01,-45.13,;13.84,-40.52,;13.84,-38.98,;15.18,-41.29,;16.5,-40.52,;16.5,-38.98,;17.84,-41.28,;19.17,-40.51,;17.83,-42.82,)| Show InChI InChI=1S/C46H60N10O6/c1-3-13-39(57)56-46(23-21-32(22-24-46)31-16-8-5-9-17-31)44(62)55-37(26-30-14-6-4-7-15-30)43(61)53-36(20-12-25-50-45(48)49)41(59)54-38(42(60)52-29(2)40(47)58)27-33-28-51-35-19-11-10-18-34(33)35/h4-11,14-19,28-29,32,36-38,51H,3,12-13,20-27H2,1-2H3,(H2,47,58)(H,52,60)(H,53,61)(H,54,59)(H,55,62)(H,56,57)(H4,48,49,50)/t29-,32-,36-,37+,38-,46+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174878
(CHEMBL373259 | X2-Apc-DPhe-Arg-Trp-Z9-NH2)Show SMILES CCCCNC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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)Nc1ccccc1C(N)=O |wU:34.36,11.14,23.24,8.7,wD:45.47,8.21,(-1.23,-41.12,;.1,-40.35,;1.43,-41.11,;2.76,-40.34,;4.09,-41.11,;5.42,-40.34,;5.42,-38.8,;6.76,-41.11,;8.09,-40.34,;9.43,-39.58,;9.43,-38.05,;8.1,-37.27,;6.77,-38.03,;6.77,-39.58,;8.11,-35.74,;9.45,-34.98,;9.46,-33.45,;8.13,-32.68,;6.79,-33.45,;6.79,-34.98,;9.43,-41.11,;9.43,-42.65,;10.77,-40.34,;12.11,-41.11,;12.11,-42.65,;13.43,-43.42,;13.42,-44.97,;14.76,-45.73,;16.09,-44.97,;16.09,-43.42,;14.76,-42.66,;13.43,-40.34,;13.43,-38.8,;14.77,-41.11,;16.11,-40.34,;16.11,-38.8,;17.44,-38.02,;17.44,-36.48,;18.78,-35.72,;18.78,-34.17,;20.12,-33.39,;17.44,-33.39,;17.44,-41.11,;17.44,-42.65,;18.78,-40.34,;20.12,-41.11,;20.11,-42.65,;20.85,-44,;22.41,-44.03,;22.68,-45.71,;21.33,-46.46,;20.98,-47.95,;19.51,-48.4,;18.38,-47.34,;18.73,-45.84,;20.21,-45.4,;21.45,-40.34,;21.45,-38.8,;22.8,-41.11,;24.33,-41.03,;25.15,-42.34,;26.68,-42.27,;27.39,-40.9,;26.55,-39.6,;25.02,-39.68,;24.19,-38.39,;24.89,-37.02,;22.66,-38.46,)| Show InChI InChI=1S/C51H63N11O6/c1-2-3-28-56-50(68)62-51(26-24-35(25-27-51)34-17-8-5-9-18-34)48(67)61-42(30-33-15-6-4-7-16-33)46(65)59-41(23-14-29-55-49(53)54)45(64)60-43(31-36-32-57-39-21-12-10-19-37(36)39)47(66)58-40-22-13-11-20-38(40)44(52)63/h4-13,15-22,32,35,41-43,57H,2-3,14,23-31H2,1H3,(H2,52,63)(H,58,66)(H,59,65)(H,60,64)(H,61,67)(H4,53,54,55)(H2,56,62,68)/t35-,41-,42+,43-,51+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174889
(CHEMBL434186 | X2-Apc-DPhe-Arg-Trp-Z2-NH2)Show SMILES CCCCNC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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:23.24,34.36,11.14,8.7,wD:8.21,45.47,(-9.89,-36.28,;-9.89,-37.81,;-8.57,-38.59,;-7.23,-37.82,;-5.9,-38.6,;-4.57,-37.82,;-4.57,-36.29,;-3.23,-38.6,;-1.88,-37.82,;-.55,-37.06,;-.54,-35.53,;-1.87,-34.75,;-3.2,-35.52,;-3.21,-37.06,;-1.87,-33.22,;-.53,-32.46,;-.52,-30.93,;-1.85,-30.15,;-3.19,-30.92,;-3.19,-32.46,;-.55,-38.6,;-.55,-40.14,;.79,-37.82,;2.13,-38.6,;2.13,-40.14,;3.45,-40.91,;3.45,-42.46,;4.79,-43.22,;6.13,-42.46,;6.12,-40.91,;4.78,-40.14,;3.45,-37.82,;3.45,-36.29,;4.79,-38.6,;6.13,-37.82,;6.13,-36.29,;7.47,-35.51,;7.47,-33.96,;8.81,-33.2,;8.81,-31.65,;10.15,-30.87,;7.47,-30.87,;7.47,-38.6,;7.47,-40.14,;8.81,-37.82,;10.15,-38.6,;10.15,-40.14,;11.49,-40.91,;12.82,-40.13,;13.93,-41.42,;13.16,-42.76,;13.64,-44.23,;12.61,-45.37,;11.1,-45.05,;10.62,-43.58,;11.66,-42.44,;11.49,-37.82,;11.49,-36.29,;12.82,-38.6,;14.16,-37.82,;15.49,-38.58,;16.81,-37.81,;15.49,-40.12,)| Show InChI InChI=1S/C46H61N11O6/c1-2-3-24-51-45(63)57-46(22-20-32(21-23-46)31-15-8-5-9-16-31)43(62)56-37(26-30-13-6-4-7-14-30)42(61)54-36(19-12-25-50-44(48)49)41(60)55-38(40(59)53-29-39(47)58)27-33-28-52-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,52H,2-3,12,19-27,29H2,1H3,(H2,47,58)(H,53,59)(H,54,61)(H,55,60)(H,56,62)(H4,48,49,50)(H2,51,57,63)/t32-,36-,37+,38-,46+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174866
(CHEMBL444880 | X1-Apc-DPhe-Arg-Trp-Z8-NH2)Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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)NCc1cccc(c1)C(N)=O |wU:32.34,9.12,21.22,6.5,wD:6.19,43.45,(-3.98,-36.24,;-2.65,-35.47,;-1.31,-36.24,;.01,-35.47,;.01,-33.93,;1.35,-36.24,;2.7,-35.47,;4.03,-34.7,;4.03,-33.17,;2.71,-32.4,;1.37,-33.17,;1.37,-34.71,;2.71,-30.87,;4.05,-30.11,;4.06,-28.57,;2.73,-27.8,;1.39,-28.57,;1.39,-30.1,;4.03,-36.24,;4.03,-37.78,;5.37,-35.47,;6.7,-36.24,;6.7,-37.78,;8.03,-38.56,;8.03,-40.1,;9.36,-40.87,;10.7,-40.1,;10.7,-38.55,;9.36,-37.78,;8.03,-35.47,;8.03,-33.93,;9.37,-36.24,;10.71,-35.47,;10.71,-33.93,;12.05,-33.15,;12.05,-31.61,;13.39,-30.84,;13.39,-29.29,;14.72,-28.52,;12.05,-28.52,;12.05,-36.24,;12.05,-37.78,;13.39,-35.47,;14.72,-36.24,;14.72,-37.78,;16.06,-38.56,;17.4,-37.77,;18.51,-39.07,;17.74,-40.41,;18.21,-41.87,;17.19,-43.02,;15.67,-42.7,;15.2,-41.23,;16.23,-40.09,;16.06,-35.47,;16.06,-33.93,;17.4,-36.24,;18.73,-35.47,;20.06,-36.23,;20.05,-37.77,;21.39,-38.53,;22.72,-37.76,;22.71,-36.22,;21.38,-35.46,;24.03,-35.44,;25.37,-36.2,;24.02,-33.9,)| Show InChI InChI=1S/C51H62N10O6/c1-2-13-44(62)61-51(25-23-36(24-26-51)35-17-7-4-8-18-35)49(67)60-42(29-33-14-5-3-6-15-33)48(66)58-41(22-12-27-55-50(53)54)47(65)59-43(30-38-32-56-40-21-10-9-20-39(38)40)46(64)57-31-34-16-11-19-37(28-34)45(52)63/h3-11,14-21,28,32,36,41-43,56H,2,12-13,22-27,29-31H2,1H3,(H2,52,63)(H,57,64)(H,58,66)(H,59,65)(H,60,67)(H,61,62)(H4,53,54,55)/t36-,41-,42+,43-,51+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174885
(Bu-5BrAtc-DPhe-Arg-2-Nal-Z9-NH2 | CHEMBL200449)Show SMILES [#6]-[#6]-[#6]-[#6](=O)-[#7]C1([#6]-[#6]-c2c(Br)cccc2-[#6]1)[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-c1ccccc1-[#6](-[#7])=O Show InChI InChI=1S/C50H56BrN9O6/c1-2-12-43(61)60-50(25-24-36-35(30-50)17-10-19-38(36)51)48(66)59-42(28-31-13-4-3-5-14-31)47(65)57-40(21-11-26-55-49(53)54)45(63)58-41(29-32-22-23-33-15-6-7-16-34(33)27-32)46(64)56-39-20-9-8-18-37(39)44(52)62/h3-10,13-20,22-23,27,40-42H,2,11-12,21,24-26,28-30H2,1H3,(H2,52,62)(H,56,64)(H,57,65)(H,58,63)(H,59,66)(H,60,61)(H4,53,54,55)/t40-,41?,42+,50?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174887
(Bu-Apc-DPhe-Arg-2-Nal-Z8-NH2 | CHEMBL200270)Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCc1cccc(c1)C(N)=O |wU:32.34,9.12,6.5,21.22,wD:6.19,(-2.91,-10.33,;-1.58,-9.57,;-.25,-10.34,;1.09,-9.57,;1.09,-8.03,;2.43,-10.34,;3.77,-9.57,;5.11,-8.81,;5.1,-7.28,;3.78,-6.5,;2.44,-7.27,;2.44,-8.81,;3.79,-4.98,;5.12,-4.2,;5.13,-2.67,;3.8,-1.9,;2.46,-2.67,;2.46,-4.2,;5.1,-10.34,;5.1,-11.89,;6.44,-9.57,;7.78,-10.34,;7.78,-11.89,;9.11,-12.66,;9.11,-14.21,;10.44,-14.97,;11.77,-14.2,;11.77,-12.65,;10.43,-11.89,;9.11,-9.57,;9.11,-8.03,;10.44,-10.34,;11.79,-9.57,;11.79,-8.03,;13.12,-7.25,;13.12,-5.71,;14.46,-4.94,;14.46,-3.39,;15.8,-2.62,;13.12,-2.62,;13.12,-10.34,;13.12,-11.89,;14.46,-9.57,;15.8,-10.34,;15.8,-11.89,;17.13,-12.66,;18.46,-11.89,;19.8,-12.66,;19.81,-14.21,;21.14,-14.98,;21.13,-16.53,;19.78,-17.3,;18.45,-16.52,;18.46,-14.98,;17.12,-14.21,;17.13,-9.57,;17.13,-8.03,;18.47,-10.34,;19.8,-9.57,;21.13,-10.33,;21.13,-11.87,;22.46,-12.64,;23.78,-11.86,;23.78,-10.32,;22.45,-9.56,;25.11,-9.55,;26.44,-10.3,;25.09,-8.01,)| Show InChI InChI=1S/C53H63N9O6/c1-2-13-46(63)62-53(27-25-40(26-28-53)38-17-7-4-8-18-38)51(68)61-45(32-35-14-5-3-6-15-35)50(67)59-43(22-12-29-57-52(55)56)49(66)60-44(33-36-23-24-39-19-9-10-20-41(39)30-36)48(65)58-34-37-16-11-21-42(31-37)47(54)64/h3-11,14-21,23-24,30-31,40,43-45H,2,12-13,22,25-29,32-34H2,1H3,(H2,54,64)(H,58,65)(H,59,67)(H,60,66)(H,61,68)(H,62,63)(H4,55,56,57)/t40-,43-,44?,45+,53+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174886
(CHEMBL381007 | X3-5-BrAtc-DPhe-Arg-Trp-Z9-NH2)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2c(Br)cccc2C1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(N)=O |wU:11.19,7.7,wD:46.49,(16.07,-25.15,;14.73,-25.92,;13.39,-25.15,;14.73,-27.47,;13.39,-28.24,;13.39,-29.78,;12.05,-30.56,;12.05,-32.1,;10.71,-32.87,;9.37,-32.1,;9.37,-30.56,;8.04,-32.87,;8.04,-34.42,;9.37,-35.19,;9.36,-36.74,;10.7,-37.51,;12.04,-36.74,;12.04,-35.19,;10.7,-34.42,;6.7,-32.1,;5.36,-32.87,;5.36,-34.42,;4.03,-32.1,;5.36,-31.34,;5.37,-29.81,;4.03,-29.03,;4.04,-27.5,;5.37,-26.74,;2.71,-26.73,;1.38,-27.51,;1.38,-29.03,;2.7,-29.8,;2.7,-31.34,;2.68,-32.87,;1.34,-32.1,;1.34,-30.56,;.01,-32.87,;-1.32,-32.11,;-1.31,-30.57,;-2.64,-29.8,;-3.97,-30.57,;-3.97,-32.12,;-2.64,-32.88,;13.39,-32.87,;13.39,-34.42,;14.73,-32.1,;16.07,-32.87,;16.07,-34.42,;17.41,-35.19,;18.75,-34.41,;19.86,-35.71,;19.09,-37.05,;19.56,-38.51,;18.53,-39.66,;17.01,-39.34,;16.54,-37.87,;17.58,-36.72,;17.41,-32.1,;17.41,-30.56,;18.75,-32.87,;20.08,-32.09,;21.1,-33.24,;22.61,-32.91,;23.07,-31.44,;22.03,-30.3,;20.53,-30.64,;19.49,-29.51,;19.95,-28.04,;17.99,-29.84,)| Show InChI InChI=1S/C52H55BrN10O6/c53-39-20-11-17-34-30-52(25-24-36(34)39,63-45(64)28-33-15-5-2-6-16-33)50(69)62-43(27-32-13-3-1-4-14-32)48(67)60-42(23-12-26-57-51(55)56)47(66)61-44(29-35-31-58-40-21-9-7-18-37(35)40)49(68)59-41-22-10-8-19-38(41)46(54)65/h1-11,13-22,31,42-44,58H,12,23-30H2,(H2,54,65)(H,59,68)(H,60,67)(H,61,66)(H,62,69)(H,63,64)(H4,55,56,57)/t42-,43+,44-,52?/m0/s1 | PDB
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UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174862
(CHEMBL372829 | X3-Apc-DPhe-Arg-Trp-Z4-NH2)Show SMILES NC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]1(CC[C@@H](CC1)c1ccccc1)NC(=O)Cc1ccccc1 |wU:22.31,47.53,33.43,44.60,wD:44.46,8.20,(24.31,-35.97,;22.98,-35.2,;22.98,-33.67,;21.65,-35.97,;20.32,-35.21,;18.99,-35.98,;17.66,-35.21,;17.66,-33.67,;16.32,-35.98,;16.32,-37.52,;17.66,-38.3,;19,-37.52,;20.1,-38.81,;19.33,-40.15,;19.81,-41.61,;18.78,-42.76,;17.26,-42.44,;16.79,-40.97,;17.83,-39.83,;14.98,-35.21,;13.64,-35.98,;13.64,-37.52,;12.31,-35.21,;12.31,-33.67,;13.64,-32.89,;13.64,-31.35,;14.98,-30.58,;14.98,-29.04,;16.32,-28.27,;13.64,-28.27,;10.97,-35.98,;9.63,-35.21,;9.63,-33.67,;8.3,-35.98,;8.3,-37.52,;9.63,-38.3,;9.62,-39.84,;10.96,-40.61,;12.3,-39.84,;12.29,-38.29,;10.96,-37.52,;6.97,-35.21,;5.63,-35.98,;5.63,-37.52,;4.3,-35.21,;5.63,-34.45,;5.63,-32.92,;4.31,-32.14,;2.97,-32.91,;2.97,-34.45,;4.31,-30.62,;5.65,-29.85,;5.66,-28.32,;4.33,-27.55,;2.99,-28.32,;2.99,-29.85,;2.95,-35.98,;1.62,-35.21,;1.62,-33.67,;.29,-35.98,;-1.04,-35.22,;-1.03,-33.68,;-2.36,-32.92,;-3.69,-33.69,;-3.69,-35.23,;-2.36,-35.99,)| Show InChI InChI=1S/C50H60N10O6/c51-43(61)24-28-54-45(63)42(31-37-32-56-39-20-11-10-19-38(37)39)58-46(64)40(21-12-27-55-49(52)53)57-47(65)41(29-33-13-4-1-5-14-33)59-48(66)50(60-44(62)30-34-15-6-2-7-16-34)25-22-36(23-26-50)35-17-8-3-9-18-35/h1-11,13-20,32,36,40-42,56H,12,21-31H2,(H2,51,61)(H,54,63)(H,57,65)(H,58,64)(H,59,66)(H,60,62)(H4,52,53,55)/t36-,40-,41+,42-,50+/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174863
(CHEMBL411817 | X3-Apc-DPhe-Arg-Trp-Z10-NH2)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]1(CC[C@@H](CC1)c1ccccc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(N)=O |wU:7.7,25.29,11.19,22.36,wD:47.50,22.22,(13.13,-24.28,;11.79,-25.06,;10.45,-24.28,;11.79,-26.6,;10.45,-27.37,;10.45,-28.92,;9.11,-29.69,;9.11,-31.24,;7.77,-32.01,;6.43,-31.24,;6.43,-29.69,;5.1,-32.01,;5.1,-33.55,;6.43,-34.33,;6.42,-35.88,;7.76,-36.65,;9.1,-35.88,;9.1,-34.32,;7.76,-33.55,;3.76,-31.24,;2.42,-32.01,;2.42,-33.55,;1.09,-31.24,;2.42,-30.47,;2.42,-28.94,;1.1,-28.17,;-.24,-28.93,;-.25,-30.47,;1.1,-26.63,;2.44,-25.87,;2.45,-24.33,;1.12,-23.56,;-.22,-24.33,;-.22,-25.86,;-.26,-32.01,;-1.6,-31.24,;-1.6,-29.69,;-2.93,-32.01,;-4.26,-31.24,;-4.26,-29.71,;-5.59,-28.94,;-6.92,-29.71,;-6.91,-31.26,;-5.58,-32.02,;10.45,-32.01,;10.45,-33.55,;11.79,-31.24,;13.13,-32.01,;13.13,-33.55,;14.47,-34.33,;15.81,-33.55,;16.92,-34.85,;16.15,-36.19,;16.62,-37.65,;15.59,-38.8,;14.08,-38.48,;13.6,-37.01,;14.64,-35.86,;14.47,-31.24,;14.47,-29.69,;15.81,-32.01,;17.14,-31.24,;18.47,-32,;18.47,-33.54,;19.8,-34.31,;21.13,-33.53,;21.12,-31.99,;19.79,-31.23,;22.47,-34.3,;23.79,-33.52,;22.47,-35.84,)| Show InChI InChI=1S/C55H62N10O6/c56-49(67)41-24-22-38(23-25-41)34-61-50(68)47(33-42-35-60-44-20-11-10-19-43(42)44)63-51(69)45(21-12-30-59-54(57)58)62-52(70)46(31-36-13-4-1-5-14-36)64-53(71)55(65-48(66)32-37-15-6-2-7-16-37)28-26-40(27-29-55)39-17-8-3-9-18-39/h1-11,13-20,22-25,35,40,45-47,60H,12,21,26-34H2,(H2,56,67)(H,61,68)(H,62,70)(H,63,69)(H,64,71)(H,65,66)(H4,57,58,59)/t40-,45-,46+,47-,55+/m0/s1 | PDB
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UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174872
(Bu-Apc-DPhe-Arg-2-Nal-Z9-NH2 | CHEMBL200668)Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(N)=O |wU:32.34,9.12,6.5,21.22,wD:6.19,(-8.1,-31.02,;-6.75,-30.25,;-5.44,-31.03,;-4.09,-30.25,;-4.09,-28.72,;-2.76,-31.03,;-1.42,-30.26,;-.08,-29.5,;-.08,-27.97,;-1.4,-27.19,;-2.74,-27.96,;-2.75,-29.5,;-1.4,-25.67,;-.06,-24.9,;-.06,-23.37,;-1.38,-22.59,;-2.72,-23.36,;-2.72,-24.9,;-.09,-31.03,;-.09,-32.57,;1.26,-30.25,;2.59,-31.03,;2.59,-32.57,;3.92,-33.35,;3.91,-34.89,;5.24,-35.65,;6.59,-34.89,;6.58,-33.34,;5.25,-32.57,;3.92,-30.25,;3.92,-28.72,;5.25,-31.03,;6.59,-30.25,;6.59,-28.72,;7.93,-27.94,;7.93,-26.4,;9.27,-25.63,;9.27,-24.09,;10.6,-23.31,;7.93,-23.31,;7.93,-31.03,;7.93,-32.57,;9.27,-30.25,;10.6,-31.03,;10.6,-32.57,;11.94,-33.35,;13.27,-32.57,;14.6,-33.35,;14.61,-34.89,;15.94,-35.67,;15.93,-37.21,;14.59,-37.98,;13.25,-37.21,;13.26,-35.66,;11.93,-34.89,;11.94,-30.25,;11.94,-28.72,;13.27,-31.03,;14.61,-30.26,;14.6,-28.73,;15.93,-27.95,;17.27,-28.73,;17.27,-30.27,;15.94,-31.04,;15.93,-32.57,;17.41,-32.98,;15.15,-33.9,)| Show InChI InChI=1S/C52H61N9O6/c1-2-14-45(62)61-52(28-26-38(27-29-52)36-17-7-4-8-18-36)50(67)60-44(32-34-15-5-3-6-16-34)49(66)58-42(23-13-30-56-51(54)55)47(64)59-43(33-35-24-25-37-19-9-10-20-39(37)31-35)48(65)57-41-22-12-11-21-40(41)46(53)63/h3-12,15-22,24-25,31,38,42-44H,2,13-14,23,26-30,32-33H2,1H3,(H2,53,63)(H,57,65)(H,58,66)(H,59,64)(H,60,67)(H,61,62)(H4,54,55,56)/t38-,42-,43?,44+,52+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
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 | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174881
(Bu-Apc-DPhe-Arg-2-Nal-Z2-NH2 | CHEMBL372789)Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCC(N)=O |wU:21.22,32.34,9.12,6.5,wD:6.19,(-7.12,-4.64,;-5.79,-3.88,;-4.46,-4.64,;-3.12,-3.88,;-3.12,-2.33,;-1.78,-4.64,;-.44,-3.87,;.9,-3.11,;.89,-1.58,;-.43,-.8,;-1.76,-1.57,;-1.77,-3.11,;-.42,.72,;.91,1.49,;.91,3.02,;-.41,3.8,;-1.75,3.03,;-1.74,1.49,;.89,-4.64,;.89,-6.19,;2.23,-3.88,;3.56,-4.64,;3.56,-6.19,;4.9,-6.96,;4.89,-8.51,;6.23,-9.27,;7.56,-8.51,;7.56,-6.95,;6.22,-6.19,;4.9,-3.88,;4.9,-2.33,;6.23,-4.64,;7.57,-3.88,;7.57,-2.33,;8.91,-1.55,;8.91,-.01,;10.24,.76,;10.24,2.3,;11.59,3.08,;8.91,3.08,;8.91,-4.64,;8.91,-6.19,;10.24,-3.88,;11.59,-4.64,;11.59,-6.19,;12.92,-6.96,;14.25,-6.19,;15.59,-6.96,;15.59,-8.51,;16.92,-9.29,;16.92,-10.83,;15.57,-11.6,;14.24,-10.82,;14.25,-9.28,;12.91,-8.51,;12.92,-3.88,;12.92,-2.33,;14.26,-4.64,;15.59,-3.87,;16.92,-4.63,;18.25,-3.86,;16.92,-6.17,)| Show InChI InChI=1S/C47H59N9O6/c1-2-12-41(58)56-47(24-22-35(23-25-47)33-15-7-4-8-16-33)45(62)55-39(28-31-13-5-3-6-14-31)44(61)53-37(19-11-26-51-46(49)50)43(60)54-38(42(59)52-30-40(48)57)29-32-20-21-34-17-9-10-18-36(34)27-32/h3-10,13-18,20-21,27,35,37-39H,2,11-12,19,22-26,28-30H2,1H3,(H2,48,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,49,50,51)/t35-,37-,38?,39+,47+/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174882
(CHEMBL425992 | X2-Apc-DPhe-Arg-Trp-Z8-NH2)Show SMILES CCCCNC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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)NCc1cccc(c1)C(N)=O |wU:34.36,11.14,23.24,8.7,wD:45.47,8.21,(-3.3,-35.98,;-1.97,-35.21,;-.64,-35.98,;.69,-35.21,;2.02,-35.98,;3.35,-35.21,;3.35,-33.66,;4.69,-35.98,;6.03,-35.21,;7.36,-34.44,;7.37,-32.91,;6.04,-32.14,;4.71,-32.9,;4.7,-34.44,;6.05,-30.61,;7.38,-29.85,;7.39,-28.31,;6.06,-27.54,;4.72,-28.31,;4.72,-29.84,;7.36,-35.98,;7.36,-37.52,;8.7,-35.21,;10.04,-35.98,;10.04,-37.52,;11.37,-38.3,;11.36,-39.84,;12.7,-40.61,;14.04,-39.84,;14.03,-38.29,;12.69,-37.52,;11.37,-35.21,;11.37,-33.66,;12.71,-35.98,;14.04,-35.21,;14.04,-33.66,;15.38,-32.89,;15.38,-31.34,;16.72,-30.58,;16.72,-29.03,;18.06,-28.26,;15.38,-28.26,;15.38,-35.98,;15.38,-37.52,;16.72,-35.21,;18.06,-35.98,;18.06,-37.52,;19.4,-38.3,;20.74,-37.51,;21.84,-38.81,;21.08,-40.15,;21.55,-41.61,;20.52,-42.76,;19,-42.44,;18.53,-40.97,;19.57,-39.82,;19.4,-35.21,;19.4,-33.66,;20.74,-35.98,;22.06,-35.2,;23.4,-35.97,;23.39,-37.51,;24.72,-38.27,;26.05,-37.5,;26.04,-35.95,;24.71,-35.2,;27.37,-35.18,;28.7,-35.94,;27.36,-33.64,)| Show InChI InChI=1S/C52H65N11O6/c1-2-3-27-57-51(69)63-52(25-23-37(24-26-52)36-17-8-5-9-18-36)49(68)62-43(30-34-14-6-4-7-15-34)48(67)60-42(22-13-28-56-50(54)55)47(66)61-44(31-39-33-58-41-21-11-10-20-40(39)41)46(65)59-32-35-16-12-19-38(29-35)45(53)64/h4-12,14-21,29,33,37,42-44,58H,2-3,13,22-28,30-32H2,1H3,(H2,53,64)(H,59,65)(H,60,67)(H,61,66)(H,62,68)(H4,54,55,56)(H2,57,63,69)/t37-,42-,43+,44-,52+/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
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174884
(CHEMBL200276 | X1-Apc-DPhe-Arg-Trp-Z9-NH2)Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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)Nc1ccccc1C(N)=O |wU:32.34,9.12,21.22,6.5,wD:6.19,43.45,(-5.6,-38.47,;-4.27,-37.7,;-2.93,-38.46,;-1.61,-37.69,;-1.61,-36.15,;-.26,-38.47,;1.08,-37.69,;2.41,-36.93,;2.41,-35.4,;1.09,-34.62,;-.25,-35.39,;-.26,-36.93,;1.1,-33.1,;2.43,-32.33,;2.44,-30.79,;1.1,-30.02,;-.23,-30.79,;-.23,-32.33,;2.41,-38.47,;2.41,-40.01,;3.75,-37.69,;5.09,-38.47,;5.09,-40.01,;6.42,-40.79,;6.42,-42.33,;7.75,-43.1,;9.09,-42.33,;9.08,-40.78,;7.75,-40.01,;6.42,-37.69,;6.42,-36.15,;7.76,-38.47,;9.1,-37.69,;9.1,-36.15,;10.44,-35.37,;10.44,-33.82,;11.77,-33.06,;11.77,-31.52,;13.11,-30.74,;10.44,-30.74,;10.44,-38.47,;10.44,-40.01,;11.77,-37.69,;13.11,-38.47,;13.11,-40.01,;14.46,-40.79,;15.8,-40,;16.9,-41.3,;16.13,-42.64,;16.6,-44.1,;15.57,-45.25,;14.05,-44.94,;13.59,-43.46,;14.62,-42.32,;14.46,-37.69,;14.46,-36.15,;15.8,-38.47,;17.12,-37.69,;17.82,-39.06,;19.35,-39.13,;20.19,-37.84,;19.47,-36.47,;17.94,-36.4,;17.23,-35.04,;18.06,-33.74,;15.69,-34.97,)| Show InChI InChI=1S/C50H60N10O6/c1-2-14-43(61)60-50(26-24-34(25-27-50)33-17-7-4-8-18-33)48(66)59-41(29-32-15-5-3-6-16-32)46(64)57-40(23-13-28-54-49(52)53)45(63)58-42(30-35-31-55-38-21-11-9-19-36(35)38)47(65)56-39-22-12-10-20-37(39)44(51)62/h3-12,15-22,31,34,40-42,55H,2,13-14,23-30H2,1H3,(H2,51,62)(H,56,65)(H,57,64)(H,58,63)(H,59,66)(H,60,61)(H4,52,53,54)/t34-,40-,41+,42-,50+/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
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
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
Agonist activity in HEK293 cells transfected with human MC1R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
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
Agonist activity in HEK293 cells transfected with human MC1R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174888
(Bu-Apc-DPhe-Arg-2-Nal-Z10-NH2 | CHEMBL382273)Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCc1ccc(cc1)C(N)=O |wU:32.34,9.12,6.5,21.22,wD:6.19,(-1.28,-8.09,;.05,-7.33,;1.38,-8.1,;2.72,-7.33,;2.72,-5.79,;4.06,-8.1,;5.4,-7.33,;6.74,-6.57,;6.73,-5.04,;5.41,-4.26,;4.08,-5.03,;4.07,-6.57,;5.42,-2.74,;6.75,-1.97,;6.76,-.43,;5.43,.34,;4.09,-.43,;4.1,-1.97,;6.73,-8.1,;6.73,-9.65,;8.07,-7.33,;9.41,-8.1,;9.41,-9.65,;10.74,-10.42,;10.73,-11.96,;12.07,-12.73,;13.4,-11.96,;13.4,-10.41,;12.06,-9.65,;10.74,-7.33,;10.74,-5.79,;12.07,-8.1,;13.42,-7.33,;13.42,-5.79,;14.75,-5.01,;14.75,-3.47,;16.08,-2.7,;16.08,-1.15,;17.43,-.38,;14.75,-.38,;14.75,-8.1,;14.75,-9.65,;16.08,-7.33,;17.43,-8.1,;17.43,-9.65,;18.76,-10.42,;20.09,-9.65,;21.43,-10.42,;21.43,-11.97,;22.76,-12.74,;22.76,-14.29,;21.41,-15.06,;20.08,-14.28,;20.09,-12.74,;18.75,-11.97,;18.76,-7.33,;18.76,-5.79,;20.1,-8.1,;21.43,-7.33,;22.76,-8.09,;22.75,-9.63,;24.09,-10.4,;25.41,-9.62,;25.4,-8.08,;24.07,-7.32,;26.75,-10.38,;28.08,-9.61,;26.76,-11.92,)| Show InChI InChI=1S/C53H63N9O6/c1-2-12-46(63)62-53(28-26-40(27-29-53)38-15-7-4-8-16-38)51(68)61-45(32-35-13-5-3-6-14-35)50(67)59-43(19-11-30-57-52(55)56)49(66)60-44(33-37-22-23-39-17-9-10-18-42(39)31-37)48(65)58-34-36-20-24-41(25-21-36)47(54)64/h3-10,13-18,20-25,31,40,43-45H,2,11-12,19,26-30,32-34H2,1H3,(H2,54,64)(H,58,65)(H,59,67)(H,60,66)(H,61,68)(H,62,63)(H4,55,56,57)/t40-,43-,44?,45+,53+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174865
(CHEMBL371215 | Penta-5-BrAtc-DPhe-Arg-2-Nal-Gly-NH...)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]C1([#6]-[#6]-c2c(Br)cccc2-[#6]1)[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C46H56BrN9O6/c1-2-3-18-40(58)56-46(22-21-34-33(27-46)15-9-16-35(34)47)44(62)55-38(25-29-11-5-4-6-12-29)43(61)53-36(17-10-23-51-45(49)50)42(60)54-37(41(59)52-28-39(48)57)26-30-19-20-31-13-7-8-14-32(31)24-30/h4-9,11-16,19-20,24,36-38H,2-3,10,17-18,21-23,25-28H2,1H3,(H2,48,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,49,50,51)/t36-,37?,38+,46?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174868
(CHEMBL409589 | X3-Apc-DPhe-Arg-Trp-Z9-NH2)Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]1(CC[C@@H](CC1)c1ccccc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(N)=O |wU:7.7,25.29,11.19,22.36,wD:47.50,22.22,(15.73,-39.53,;14.39,-40.31,;13.06,-39.53,;14.39,-41.86,;13.06,-42.63,;13.06,-44.17,;11.72,-44.94,;11.72,-46.48,;10.38,-47.26,;9.04,-46.48,;9.04,-44.94,;7.71,-47.26,;7.71,-48.8,;9.04,-49.57,;9.03,-51.12,;10.37,-51.89,;11.71,-51.12,;11.7,-49.57,;10.37,-48.8,;6.38,-46.48,;5.03,-47.26,;5.03,-48.8,;3.7,-46.48,;5.03,-45.72,;5.04,-44.19,;3.71,-43.42,;2.38,-44.18,;2.37,-45.73,;3.72,-41.88,;5.06,-41.12,;5.06,-39.59,;3.73,-38.81,;2.4,-39.58,;2.4,-41.12,;2.36,-47.26,;1.02,-46.48,;1.02,-44.94,;-.31,-47.26,;-1.64,-46.49,;-1.64,-44.96,;-2.96,-44.19,;-4.3,-44.96,;-4.28,-46.5,;-2.95,-47.27,;13.06,-47.26,;13.06,-48.8,;14.39,-46.48,;15.73,-47.26,;15.73,-48.8,;17.07,-49.57,;18.41,-48.79,;19.51,-50.09,;18.75,-51.43,;19.23,-52.89,;18.19,-54.03,;16.68,-53.72,;16.21,-52.24,;17.24,-51.1,;17.07,-46.48,;17.07,-44.94,;18.41,-47.26,;19.74,-46.48,;20.81,-47.58,;22.3,-47.21,;22.71,-45.73,;21.63,-44.62,;20.15,-45.01,;19.07,-43.92,;19.48,-42.43,;17.58,-44.3,)| Show InChI InChI=1S/C54H60N10O6/c55-48(66)41-22-11-13-24-43(41)60-51(69)46(33-39-34-59-42-23-12-10-21-40(39)42)62-49(67)44(25-14-30-58-53(56)57)61-50(68)45(31-35-15-4-1-5-16-35)63-52(70)54(64-47(65)32-36-17-6-2-7-18-36)28-26-38(27-29-54)37-19-8-3-9-20-37/h1-13,15-24,34,38,44-46,59H,14,25-33H2,(H2,55,66)(H,60,69)(H,61,68)(H,62,67)(H,63,70)(H,64,65)(H4,56,57,58)/t38-,44-,45+,46-,54+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocyte-stimulating hormone receptor
(Homo sapiens (Human)) | BDBM50174865
(CHEMBL371215 | Penta-5-BrAtc-DPhe-Arg-2-Nal-Gly-NH...)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]C1([#6]-[#6]-c2c(Br)cccc2-[#6]1)[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C46H56BrN9O6/c1-2-3-18-40(58)56-46(22-21-34-33(27-46)15-9-16-35(34)47)44(62)55-38(25-29-11-5-4-6-12-29)43(61)53-36(17-10-23-51-45(49)50)42(60)54-37(41(59)52-28-39(48)57)26-30-19-20-31-13-7-8-14-32(31)24-30/h4-9,11-16,19-20,24,36-38H,2-3,10,17-18,21-23,25-28H2,1H3,(H2,48,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,49,50,51)/t36-,37?,38+,46?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC1R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174870
(CHEMBL382930 | X1-5-BrAtc-DPhe-Arg-Trp-Z9-NH2)Show SMILES CCCC(=O)NC1(CCc2c(Br)cccc2C1)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)Nc1ccccc1C(N)=O |wU:31.33,20.21,wD:42.44,(-5.96,-38.74,;-4.63,-37.97,;-3.3,-38.73,;-1.97,-37.97,;-1.97,-36.42,;-.63,-38.74,;.72,-37.97,;2.05,-37.2,;2.05,-35.68,;.72,-34.9,;.73,-33.37,;2.06,-32.61,;-.59,-32.6,;-1.93,-33.37,;-1.93,-34.9,;-.61,-35.66,;-.61,-37.2,;2.05,-38.74,;2.05,-40.28,;3.39,-37.97,;4.73,-38.74,;4.73,-40.28,;6.06,-41.06,;6.05,-42.6,;7.39,-43.37,;8.73,-42.6,;8.72,-41.05,;7.38,-40.28,;6.06,-37.97,;6.06,-36.42,;7.4,-38.74,;8.74,-37.97,;8.74,-36.42,;10.07,-35.65,;10.07,-34.1,;11.42,-33.34,;11.42,-31.79,;12.75,-31.01,;10.07,-31.01,;10.07,-38.74,;10.07,-40.28,;11.42,-37.97,;12.75,-38.74,;12.75,-40.28,;14.09,-41.06,;15.43,-40.28,;16.54,-41.57,;15.77,-42.91,;16.24,-44.37,;15.22,-45.52,;13.7,-45.21,;13.23,-43.73,;14.26,-42.59,;14.09,-37.97,;14.09,-36.42,;15.43,-38.74,;16.75,-37.96,;17.83,-39.06,;19.32,-38.66,;19.72,-37.18,;18.62,-36.08,;17.15,-36.49,;16.06,-35.4,;16.46,-33.92,;14.58,-35.8,)| Show InChI InChI=1S/C48H55BrN10O6/c1-2-12-41(60)59-48(23-22-32-30(27-48)15-10-18-35(32)49)46(65)58-39(25-29-13-4-3-5-14-29)44(63)56-38(21-11-24-53-47(51)52)43(62)57-40(26-31-28-54-36-19-8-6-16-33(31)36)45(64)55-37-20-9-7-17-34(37)42(50)61/h3-10,13-20,28,38-40,54H,2,11-12,21-27H2,1H3,(H2,50,61)(H,55,64)(H,56,63)(H,57,62)(H,58,65)(H,59,60)(H4,51,52,53)/t38-,39+,40-,48?/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174874
(Bu-His-DPhe-Arg-2-Nal-Gly-NH2 | CHEMBL369867)Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCC(N)=O |wU:16.16,27.28,6.5,(-6.26,-5.82,;-4.92,-5.06,;-3.6,-5.83,;-2.27,-5.06,;-2.27,-3.52,;-.93,-5.83,;.4,-5.06,;.4,-3.52,;1.74,-2.75,;3.13,-3.37,;4.16,-2.22,;3.39,-.89,;1.89,-1.21,;1.74,-5.83,;1.74,-7.37,;3.07,-5.06,;4.41,-5.83,;4.41,-7.37,;5.73,-8.14,;5.73,-9.68,;7.06,-10.44,;8.39,-9.68,;8.39,-8.13,;7.05,-7.36,;5.73,-5.06,;5.73,-3.52,;7.07,-5.83,;8.4,-5.06,;8.4,-3.52,;9.73,-2.75,;9.73,-1.21,;11.07,-.44,;11.07,1.1,;12.4,1.87,;9.73,1.87,;9.73,-5.83,;9.73,-7.37,;11.07,-5.06,;12.4,-5.83,;12.4,-7.37,;13.74,-8.14,;15.06,-7.37,;16.39,-8.13,;16.4,-9.69,;17.72,-10.46,;17.73,-11.99,;16.38,-12.77,;15.05,-11.99,;15.06,-10.45,;13.72,-9.68,;13.74,-5.06,;13.74,-3.52,;15.07,-5.83,;16.39,-5.06,;17.73,-5.82,;19.05,-5.05,;17.72,-7.35,)| Show InChI InChI=1S/C40H51N11O6/c1-2-9-35(53)48-33(21-29-22-44-24-47-29)39(57)51-32(19-25-10-4-3-5-11-25)38(56)49-30(14-8-17-45-40(42)43)37(55)50-31(36(54)46-23-34(41)52)20-26-15-16-27-12-6-7-13-28(27)18-26/h3-7,10-13,15-16,18,22,24,30-33H,2,8-9,14,17,19-21,23H2,1H3,(H2,41,52)(H,44,47)(H,46,54)(H,48,53)(H,49,56)(H,50,55)(H,51,57)(H4,42,43,45)/t30-,31?,32+,33-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174877
(Bu-Apc-DPhe-Arg-2-Nal-Z3-NH2 | CHEMBL369915)Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(N)=O |wU:21.22,32.34,9.12,6.5,58.63,wD:6.19,(-4.88,-3.48,;-3.55,-2.71,;-2.22,-3.49,;-.89,-2.71,;-.89,-1.18,;.46,-3.49,;1.8,-2.72,;3.12,-1.96,;3.13,-.43,;1.81,.35,;.47,-.42,;.47,-1.96,;1.82,1.87,;3.15,2.64,;3.15,4.18,;1.82,4.95,;.49,4.18,;.49,2.64,;3.13,-3.49,;3.13,-5.03,;4.46,-2.71,;5.8,-3.49,;5.8,-5.03,;7.13,-5.81,;7.12,-7.35,;8.46,-8.11,;9.8,-7.35,;9.8,-5.8,;8.46,-5.03,;7.13,-2.71,;7.13,-1.18,;8.47,-3.49,;9.8,-2.71,;9.8,-1.18,;11.14,-.4,;11.14,1.14,;12.48,1.91,;12.48,3.46,;13.82,4.23,;11.14,4.23,;11.14,-3.49,;11.14,-5.03,;12.48,-2.71,;13.82,-3.49,;13.82,-5.03,;15.15,-5.81,;16.48,-5.03,;17.82,-5.81,;17.82,-7.35,;19.15,-8.13,;19.15,-9.67,;17.8,-10.44,;16.47,-9.67,;16.48,-8.12,;15.14,-7.35,;15.15,-2.71,;15.15,-1.18,;16.49,-3.49,;17.82,-2.72,;17.81,-1.18,;19.15,-3.47,;20.48,-2.71,;19.15,-5.02,)| Show InChI InChI=1S/C48H61N9O6/c1-3-13-41(58)57-48(25-23-36(24-26-48)34-16-8-5-9-17-34)46(63)56-40(29-32-14-6-4-7-15-32)45(62)54-38(20-12-27-52-47(50)51)43(60)55-39(44(61)53-31(2)42(49)59)30-33-21-22-35-18-10-11-19-37(35)28-33/h4-11,14-19,21-22,28,31,36,38-40H,3,12-13,20,23-27,29-30H2,1-2H3,(H2,49,59)(H,53,61)(H,54,62)(H,55,60)(H,56,63)(H,57,58)(H4,50,51,52)/t31-,36-,38-,39?,40+,48+/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174883
(CHEMBL196773 | X3-Apc-DPhe-Arg-Trp-Z3-NH2)Show SMILES C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]1(CC[C@@H](CC1)c1ccccc1)NC(=O)Cc1ccccc1)C(N)=O |wU:19.28,44.50,30.40,1.0,41.57,wD:41.43,5.17,(22.03,-37.25,;22.04,-38.79,;20.72,-39.56,;19.38,-38.78,;19.38,-37.25,;18.04,-39.56,;18.04,-41.1,;19.38,-41.87,;20.71,-41.09,;21.82,-42.39,;21.05,-43.73,;21.52,-45.19,;20.5,-46.33,;18.98,-46.02,;18.51,-44.55,;19.54,-43.4,;16.7,-38.78,;15.36,-39.56,;15.36,-41.1,;14.02,-38.78,;14.02,-37.25,;15.36,-36.47,;15.36,-34.93,;16.7,-34.16,;16.7,-32.62,;18.04,-31.84,;15.36,-31.84,;12.69,-39.56,;11.35,-38.78,;11.35,-37.25,;10.02,-39.56,;10.02,-41.1,;11.35,-41.87,;11.34,-43.42,;12.68,-44.19,;14.01,-43.42,;14.01,-41.87,;12.67,-41.11,;8.68,-38.78,;7.34,-39.56,;7.34,-41.1,;6.01,-38.79,;7.35,-38.02,;7.35,-36.49,;6.02,-35.72,;4.69,-36.49,;4.68,-38.03,;6.03,-34.19,;7.36,-33.42,;7.37,-31.89,;6.04,-31.12,;4.71,-31.89,;4.71,-33.42,;4.67,-39.56,;3.33,-38.78,;3.33,-37.25,;2,-39.56,;.67,-38.79,;.67,-37.25,;-.65,-36.49,;-1.99,-37.26,;-1.97,-38.8,;-.65,-39.56,;23.37,-39.55,;24.7,-38.78,;23.37,-41.09,)| Show InChI InChI=1S/C50H60N10O6/c1-32(44(51)62)56-46(64)42(30-37-31-55-39-21-12-11-20-38(37)39)58-45(63)40(22-13-27-54-49(52)53)57-47(65)41(28-33-14-5-2-6-15-33)59-48(66)50(60-43(61)29-34-16-7-3-8-17-34)25-23-36(24-26-50)35-18-9-4-10-19-35/h2-12,14-21,31-32,36,40-42,55H,13,22-30H2,1H3,(H2,51,62)(H,56,64)(H,57,65)(H,58,63)(H,59,66)(H,60,61)(H4,52,53,54)/t32-,36-,40-,41+,42-,50+/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174867
(CHEMBL372200 | X3-Apc-DPhe-Arg-Trp-Z2-NH2)Show SMILES NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]1(CC[C@@H](CC1)c1ccccc1)NC(=O)Cc1ccccc1 |wU:21.30,46.52,32.42,43.59,wD:43.45,7.19,(20.08,-41.55,;18.75,-42.32,;18.76,-43.85,;17.42,-41.56,;16.09,-42.33,;14.75,-41.56,;14.75,-40.01,;13.42,-42.33,;13.42,-43.88,;14.75,-44.65,;16.1,-43.86,;17.2,-45.16,;16.44,-46.5,;16.91,-47.97,;15.88,-49.11,;14.36,-48.79,;13.89,-47.32,;14.92,-46.17,;12.08,-41.56,;10.75,-42.33,;10.75,-43.88,;9.41,-41.56,;9.41,-40.01,;10.75,-39.24,;10.75,-37.7,;12.08,-36.93,;12.08,-35.39,;13.42,-34.61,;10.75,-34.61,;8.07,-42.33,;6.73,-41.56,;6.73,-40.01,;5.4,-42.33,;5.4,-43.88,;6.73,-44.65,;6.72,-46.2,;8.05,-46.96,;9.39,-46.19,;9.39,-44.65,;8.06,-43.87,;4.06,-41.56,;2.72,-42.33,;2.72,-43.88,;1.39,-41.56,;2.72,-40.8,;2.73,-39.27,;1.4,-38.49,;.07,-39.25,;.06,-40.8,;1.41,-36.96,;2.74,-36.2,;2.75,-34.67,;1.42,-33.89,;.08,-34.66,;.08,-36.19,;.05,-42.33,;-1.29,-41.56,;-1.29,-40.01,;-2.62,-42.33,;-3.96,-41.56,;-3.95,-40.03,;-5.28,-39.26,;-6.61,-40.03,;-6.6,-41.58,;-5.27,-42.34,)| Show InChI InChI=1S/C49H58N10O6/c50-42(60)31-55-44(62)41(29-36-30-54-38-20-11-10-19-37(36)38)57-45(63)39(21-12-26-53-48(51)52)56-46(64)40(27-32-13-4-1-5-14-32)58-47(65)49(59-43(61)28-33-15-6-2-7-16-33)24-22-35(23-25-49)34-17-8-3-9-18-34/h1-11,13-20,30,35,39-41,54H,12,21-29,31H2,(H2,50,60)(H,55,62)(H,56,64)(H,57,63)(H,58,65)(H,59,61)(H4,51,52,53)/t35-,39-,40+,41-,49+/m0/s1 | PDB
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PubMed
| 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
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174879
(CHEMBL370665 | X2-Apc-DPhe-Arg-Trp-Z4-NH2)Show SMILES CCCCNC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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)NCCC(N)=O |wU:34.36,11.14,23.24,8.7,wD:8.21,45.47,(-1.99,-38.66,;-.66,-37.89,;.67,-38.65,;2,-37.89,;3.33,-38.65,;4.66,-37.88,;4.66,-36.34,;5.99,-38.65,;7.33,-37.88,;8.67,-37.12,;8.68,-35.59,;7.35,-34.82,;6.02,-35.58,;6.01,-37.12,;7.35,-33.29,;8.69,-32.53,;8.7,-30.99,;7.37,-30.22,;6.04,-30.99,;6.04,-32.52,;8.67,-38.65,;8.67,-40.19,;10,-37.88,;11.35,-38.65,;11.35,-40.19,;12.67,-40.97,;12.66,-42.51,;14,-43.28,;15.34,-42.51,;15.33,-40.96,;14,-40.19,;12.67,-37.88,;12.67,-36.34,;14.01,-38.65,;15.35,-37.88,;15.35,-36.34,;16.68,-35.56,;16.68,-34.02,;18.02,-33.25,;18.02,-31.71,;19.36,-30.94,;16.68,-30.94,;16.68,-38.65,;16.68,-40.19,;18.02,-37.88,;19.36,-38.65,;19.36,-40.19,;20.69,-40.97,;22.04,-40.18,;23.14,-41.48,;22.38,-42.82,;22.84,-44.28,;21.82,-45.42,;20.3,-45.11,;19.83,-43.64,;20.86,-42.49,;20.69,-37.88,;20.69,-36.34,;22.03,-38.65,;23.36,-37.88,;24.69,-38.64,;26.02,-37.87,;27.35,-38.64,;26.01,-36.34,)| Show InChI InChI=1S/C47H63N11O6/c1-2-3-25-53-46(64)58-47(23-20-33(21-24-47)32-15-8-5-9-16-32)44(63)57-38(28-31-13-6-4-7-14-31)43(62)55-37(19-12-26-52-45(49)50)42(61)56-39(41(60)51-27-22-40(48)59)29-34-30-54-36-18-11-10-17-35(34)36/h4-11,13-18,30,33,37-39,54H,2-3,12,19-29H2,1H3,(H2,48,59)(H,51,60)(H,55,62)(H,56,61)(H,57,63)(H4,49,50,52)(H2,53,58,64)/t33-,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
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174880
(CHEMBL199740 | Penta-Apc-DPhe-Arg-2-Nal-Gly-NH2)Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCC(N)=O |wU:22.23,33.35,7.6,10.13,wD:7.20,(-4.4,-.98,;-3.07,-1.75,;-1.73,-.99,;-.4,-1.76,;.93,-.99,;.93,.55,;2.27,-1.76,;3.61,-.99,;4.94,-.23,;4.94,1.3,;3.62,2.08,;2.28,1.31,;2.28,-.22,;3.63,3.61,;4.96,4.38,;4.98,5.91,;3.65,6.69,;2.31,5.92,;2.31,4.38,;4.94,-1.76,;4.94,-3.3,;6.29,-.99,;7.62,-1.76,;7.62,-3.3,;8.95,-4.07,;8.95,-5.63,;10.28,-6.39,;11.62,-5.63,;11.61,-4.07,;10.28,-3.3,;8.95,-.99,;8.95,.55,;10.29,-1.76,;11.63,-.99,;11.63,.55,;12.97,1.33,;12.97,2.88,;14.3,3.64,;14.3,5.19,;15.65,5.96,;12.97,5.96,;12.97,-1.76,;12.97,-3.3,;14.3,-.99,;15.65,-1.76,;15.65,-3.3,;16.98,-4.07,;18.31,-3.31,;19.65,-4.08,;19.65,-5.63,;20.98,-6.4,;20.97,-7.95,;19.63,-8.72,;18.29,-7.94,;18.3,-6.4,;16.97,-5.62,;16.98,-.99,;16.98,.55,;18.31,-1.76,;19.65,-.99,;20.97,-1.75,;22.31,-.98,;20.98,-3.28,)| Show InChI InChI=1S/C48H61N9O6/c1-2-3-20-42(59)57-48(25-23-36(24-26-48)34-15-8-5-9-16-34)46(63)56-40(29-32-13-6-4-7-14-32)45(62)54-38(19-12-27-52-47(50)51)44(61)55-39(43(60)53-31-41(49)58)30-33-21-22-35-17-10-11-18-37(35)28-33/h4-11,13-18,21-22,28,36,38-40H,2-3,12,19-20,23-27,29-31H2,1H3,(H2,49,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,50,51,52)/t36-,38-,39?,40+,48+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
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
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174890
(Bu-Apc-DPhe-Arg-2-Nal-Z4-NH2 | CHEMBL436296)Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCCC(N)=O |wU:21.22,32.34,9.12,6.5,wD:6.19,(-7.6,-9.56,;-6.26,-8.8,;-4.94,-9.57,;-3.6,-8.8,;-3.6,-7.26,;-2.27,-9.57,;-.91,-8.8,;.41,-8.04,;.42,-6.51,;-.91,-5.73,;-2.24,-6.5,;-2.25,-8.04,;-.9,-4.21,;.44,-3.44,;.44,-1.9,;-.89,-1.13,;-2.22,-1.9,;-2.22,-3.43,;.41,-9.57,;.41,-11.11,;1.75,-8.8,;3.09,-9.57,;3.09,-11.11,;4.42,-11.89,;4.41,-13.43,;5.74,-14.19,;7.09,-13.43,;7.08,-11.88,;5.75,-11.12,;4.42,-8.8,;4.42,-7.26,;5.76,-9.57,;7.09,-8.8,;7.09,-7.26,;8.43,-6.48,;8.43,-4.94,;9.77,-4.17,;9.77,-2.62,;11.1,-1.85,;8.43,-1.85,;8.43,-9.57,;8.43,-11.11,;9.77,-8.8,;11.1,-9.57,;11.1,-11.11,;12.44,-11.89,;13.77,-11.12,;15.1,-11.89,;15.11,-13.44,;16.44,-14.21,;16.44,-15.75,;15.09,-16.53,;13.76,-15.75,;13.77,-14.2,;12.44,-13.44,;12.44,-8.8,;12.44,-7.26,;13.78,-9.57,;15.11,-8.8,;16.44,-9.56,;17.76,-8.79,;19.09,-9.55,;17.76,-7.25,)| Show InChI InChI=1S/C48H61N9O6/c1-2-12-42(59)57-48(25-22-36(23-26-48)34-15-7-4-8-16-34)46(63)56-40(30-32-13-5-3-6-14-32)45(62)54-38(19-11-27-53-47(50)51)44(61)55-39(43(60)52-28-24-41(49)58)31-33-20-21-35-17-9-10-18-37(35)29-33/h3-10,13-18,20-21,29,36,38-40H,2,11-12,19,22-28,30-31H2,1H3,(H2,49,58)(H,52,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,50,51,53)/t36-,38-,39?,40+,48+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50174873
(CHEMBL373016 | X1-Apc-DPhe-Arg-Trp-Z4-NH2)Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)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)NCCC(N)=O |wU:32.34,9.12,21.22,6.5,wD:6.19,43.45,(-7.45,-34.64,;-6.13,-33.87,;-4.8,-34.63,;-3.47,-33.87,;-3.47,-32.32,;-2.13,-34.63,;-.79,-33.87,;.55,-33.1,;.55,-31.57,;-.78,-30.8,;-2.11,-31.56,;-2.12,-33.1,;-.77,-29.27,;.57,-28.51,;.57,-26.97,;-.76,-26.2,;-2.09,-26.97,;-2.09,-28.5,;.54,-34.63,;.54,-36.18,;1.88,-33.87,;3.22,-34.63,;3.22,-36.18,;4.55,-36.95,;4.54,-38.5,;5.88,-39.26,;7.21,-38.5,;7.21,-36.95,;5.87,-36.18,;4.55,-33.87,;4.55,-32.32,;5.89,-34.63,;7.22,-33.87,;7.22,-32.32,;8.56,-31.55,;8.56,-30,;9.9,-29.24,;9.9,-27.69,;11.23,-26.92,;8.56,-26.92,;8.56,-34.63,;8.56,-36.18,;9.9,-33.87,;11.23,-34.63,;11.23,-36.18,;12.57,-36.95,;13.91,-36.17,;15.02,-37.47,;14.25,-38.8,;14.72,-40.26,;13.69,-41.41,;12.18,-41.09,;11.71,-39.62,;12.74,-38.48,;12.57,-33.87,;12.57,-32.32,;13.91,-34.63,;15.24,-33.86,;16.57,-34.63,;17.89,-33.86,;19.23,-34.62,;17.89,-32.32,)| Show InChI InChI=1S/C46H60N10O6/c1-2-12-40(58)56-46(23-20-32(21-24-46)31-15-7-4-8-16-31)44(62)55-37(27-30-13-5-3-6-14-30)43(61)53-36(19-11-25-51-45(48)49)42(60)54-38(41(59)50-26-22-39(47)57)28-33-29-52-35-18-10-9-17-34(33)35/h3-10,13-18,29,32,36-38,52H,2,11-12,19-28H2,1H3,(H2,47,57)(H,50,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,48,49,51)/t32-,36-,37+,38-,46+/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50121884
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)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/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1 | PDB
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Roche Research Center
Curated by ChEMBL
| Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation |
Bioorg Med Chem Lett 15: 5504-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7 |
More data for this
Ligand-Target Pair | |
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