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Compile Data Set for Download or QSAR

Found 53 hits of ki for UniProtKB: P56450   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Mus musculus)
BDBM50499284
PNG
(CHEMBL3735607)
Show SMILES CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40?,41-,42+,43-,44-,45-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MC4 receptor expressed in HEK293 cells assessed as NDP-MSH induced response by cAMP alpha screen based schild analysis


Bioorg Med Chem Lett 25: 5708-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.095
BindingDB Entry DOI: 10.7270/Q2DN482M
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50499284
PNG
(CHEMBL3735607)
Show SMILES CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)69-45-27-46(71)59-21-10-9-17-39(47(55)72)64-51(76)43(25-35-28-61-38-16-8-7-14-37(35)38)67-49(74)41(18-11-22-60-54(56)57)65-50(75)42(24-32-19-20-33-12-5-6-13-34(33)23-32)66-52(77)44(68-53(45)78)26-36-29-58-30-62-36/h5-8,12-14,16,19-20,23,28-30,39-45,61H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,55,72)(H,58,62)(H,59,71)(H,63,70)(H,64,76)(H,65,75)(H,66,77)(H,67,74)(H,68,78)(H,69,73)(H4,56,57,60)/t39-,40?,41-,42+,43-,44-,45-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MC4 receptor expressed in HEK293 cells assessed as NDP-MSH induced response by cAMP alpha screen based schild analysis


Bioorg Med Chem Lett 25: 5708-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.095
BindingDB Entry DOI: 10.7270/Q2DN482M
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50225589
PNG
((4-(1-((3-fluoro-4-methoxybenzylamino)methyl)cyclo...)
Show SMILES COc1ccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)cc1F
Show InChI InChI=1S/C33H46ClFN4O2/c1-24(2)38-21-28(26-8-10-27(34)11-9-26)29(22-38)32(40)37-15-17-39(18-16-37)33(13-5-4-6-14-33)23-36-20-25-7-12-31(41-3)30(35)19-25/h7-12,19,24,28-29,36H,4-6,13-18,20-23H2,1-3H3/t28-,29+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse MC4R


Bioorg Med Chem Lett 17: 6825-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.032
BindingDB Entry DOI: 10.7270/Q2862G5Z
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50221120
PNG
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1
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0.710n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse MC4R


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50221120
PNG
(1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methyl...)
Show SMILES CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C30H40Cl2FN5O2/c1-20(2)17-26(35-11-10-34)23-5-3-6-25(33)29(23)36-13-15-37(16-14-36)30(40)27(38-12-4-7-28(38)39)18-21-8-9-22(31)19-24(21)32/h3,5-6,8-9,19-20,26-27,35H,4,7,10-18,34H2,1-2H3/t26-,27+/m0/s1
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0.710n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089414
PNG
(CHEMBL3577996)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C49H64N12O8/c1-30-41(62)58-37(28-33-18-9-4-10-19-33)47(68)61-25-13-22-40(61)48(69)60-24-12-21-39(60)46(67)55-34(20-11-23-53-49(51)52)42(63)56-35(26-31-14-5-2-6-15-31)43(64)57-36(27-32-16-7-3-8-17-32)44(65)59-38(29-50)45(66)54-30/h2-10,14-19,30,34-40H,11-13,20-29,50H2,1H3,(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,58,62)(H,59,65)(H4,51,52,53)/t30-,34-,35-,36-,37-,38?,39-,40+/m0/s1
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0.790n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50224181
PNG
(1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H43ClN4O2/c1-21(2)29(32-28(36)13-14-33(5)6)26-19-22(3)7-12-27(26)34-15-17-35(18-16-34)30(37)23(4)20-24-8-10-25(31)11-9-24/h7-12,19,21,23,29H,13-18,20H2,1-6H3,(H,32,36)/t23-,29+/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse MC4R


J Med Chem 50: 5249-52 (2007)


Article DOI: 10.1021/jm070806a
BindingDB Entry DOI: 10.7270/Q29C6X6B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50261195
PNG
(1-{2-[(1S)-(3-Dimethylaminopropionamino)-2-methylp...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H40ClFN4O2/c1-20(2)27(32-26(36)13-14-33(4)5)24-7-6-8-25(31)28(24)34-15-17-35(18-16-34)29(37)21(3)19-22-9-11-23(30)12-10-22/h6-12,20-21,27H,13-19H2,1-5H3,(H,32,36)/t21-,27+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at mouse MC4R


Bioorg Med Chem 16: 5606-18 (2008)


Article DOI: 10.1016/j.bmc.2008.03.072
BindingDB Entry DOI: 10.7270/Q2TX3F54
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089415
PNG
(CHEMBL3577997)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(CCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C50H66N12O8/c1-31-42(63)60-39(30-34-18-9-4-10-19-34)48(69)62-27-13-22-41(62)49(70)61-26-12-21-40(61)47(68)57-35(20-11-25-54-50(52)53)44(65)58-38(29-33-16-7-3-8-17-33)46(67)59-37(28-32-14-5-2-6-15-32)45(66)56-36(23-24-51)43(64)55-31/h2-10,14-19,31,35-41H,11-13,20-30,51H2,1H3,(H,55,64)(H,56,66)(H,57,68)(H,58,65)(H,59,67)(H,60,63)(H4,52,53,54)/t31-,35-,36?,37-,38-,39-,40-,41+/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089418
PNG
(CHEMBL3578000)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C53H72N14O8/c1-33-44(68)65-41(32-36-20-9-4-10-21-36)50(74)67-29-15-25-43(67)51(75)66-28-14-24-42(66)49(73)62-38(23-13-27-59-53(56)57)46(70)63-40(31-35-18-7-3-8-19-35)48(72)64-39(30-34-16-5-2-6-17-34)47(71)61-37(45(69)60-33)22-11-12-26-58-52(54)55/h2-10,16-21,33,37-43H,11-15,22-32H2,1H3,(H,60,69)(H,61,71)(H,62,73)(H,63,70)(H,64,72)(H,65,68)(H4,54,55,58)(H4,56,57,59)/t33-,37-,38-,39-,40-,41-,42-,43+/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089413
PNG
(CHEMBL3577995)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C48H61N11O8/c1-30-41(61)57-37(28-33-18-9-4-10-19-33)46(66)59-25-13-22-39(59)47(67)58-24-12-21-38(58)45(65)54-34(20-11-23-51-48(49)50)43(63)56-36(27-32-16-7-3-8-17-32)44(64)55-35(26-31-14-5-2-6-15-31)42(62)52-29-40(60)53-30/h2-10,14-19,30,34-39H,11-13,20-29H2,1H3,(H,52,62)(H,53,60)(H,54,65)(H,55,64)(H,56,63)(H,57,61)(H4,49,50,51)/t30-,34-,35-,36-,37-,38-,39+/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089416
PNG
(CHEMBL3577998)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(CCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C51H68N12O8/c1-32-43(64)61-40(31-35-19-9-4-10-20-35)49(70)63-28-14-24-42(63)50(71)62-27-13-23-41(62)48(69)58-37(22-12-26-55-51(53)54)45(66)59-39(30-34-17-7-3-8-18-34)47(68)60-38(29-33-15-5-2-6-16-33)46(67)57-36(21-11-25-52)44(65)56-32/h2-10,15-20,32,36-42H,11-14,21-31,52H2,1H3,(H,56,65)(H,57,67)(H,58,69)(H,59,66)(H,60,68)(H,61,64)(H4,53,54,55)/t32-,36?,37-,38-,39-,40-,41-,42+/m0/s1
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5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089417
PNG
(CHEMBL3577999)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C52H70N12O8/c1-33-44(65)62-41(32-36-20-9-4-10-21-36)50(71)64-29-15-25-43(64)51(72)63-28-14-24-42(63)49(70)59-38(23-13-27-56-52(54)55)46(67)60-40(31-35-18-7-3-8-19-35)48(69)61-39(30-34-16-5-2-6-17-34)47(68)58-37(45(66)57-33)22-11-12-26-53/h2-10,16-21,33,37-43H,11-15,22-32,53H2,1H3,(H,57,66)(H,58,68)(H,59,70)(H,60,67)(H,61,69)(H,62,65)(H4,54,55,56)/t33-,37-,38-,39-,40-,41-,42-,43+/m0/s1
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5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50214685
PNG
(1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifl...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26+/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Binding affinity to C57BL/6J mouse MC4 receptor


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50080578
PNG
(CHEMBL3422432)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
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<6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Antagonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells assessed as inhibition of MTII-induced response after 6 hrs by Schil...


ACS Med Chem Lett 6: 123-7 (2015)


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50080577
PNG
(CHEMBL3422433)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
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<6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Antagonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells assessed as inhibition of MTII-induced response after 6 hrs by Schil...


ACS Med Chem Lett 6: 123-7 (2015)


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089409
PNG
(CHEMBL3577991)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C51H66N12O9/c1-31-43(65)61-39(29-34-18-9-4-10-19-34)49(71)63-27-13-22-41(63)50(72)62-26-12-21-40(62)48(70)58-35(20-11-25-55-51(53)54)44(66)59-37(28-33-16-7-3-8-17-33)47(69)57-36(24-23-32-14-5-2-6-15-32)45(67)60-38(30-42(52)64)46(68)56-31/h2-10,14-19,31,35-41H,11-13,20-30H2,1H3,(H2,52,64)(H,56,68)(H,57,69)(H,58,70)(H,59,66)(H,60,67)(H,61,65)(H4,53,54,55)/t31-,35-,36?,37-,38-,39-,40-,41+/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50266704
PNG
(CHEMBL4083717)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C33H46IN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27-/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MC4R expressed in HEK293 cells assessed as inhibition of NDP-MSH induced-cAMP accumulation after 2 hrs by alpha screen a...


J Med Chem 60: 4342-4357 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089411
PNG
(CHEMBL3577993)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc1cccc3ccccc13)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-16-6-3-7-17-34)52(74)66-27-13-24-44(66)53(75)65-26-12-23-43(65)51(73)60-38(22-11-25-58-54(56)57)47(69)61-39(28-33-14-4-2-5-15-33)49(71)62-40(50(72)63-41(31-45(55)67)48(70)59-32)30-36-20-10-19-35-18-8-9-21-37(35)36/h2-10,14-21,32,38-44H,11-13,22-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,71)(H,63,72)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089404
PNG
(CHEMBL3577986)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1cccc3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-16-6-3-7-17-34)52(74)66-27-13-24-44(66)53(75)65-26-12-23-43(65)51(73)60-38(22-11-25-58-54(56)57)47(69)62-40(30-36-20-10-19-35-18-8-9-21-37(35)36)50(72)61-39(28-33-14-4-2-5-15-33)49(71)63-41(31-45(55)67)48(70)59-32/h2-10,14-21,32,38-44H,11-13,22-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,72)(H,62,69)(H,63,71)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50226629
PNG
(CHEMBL266647 | N-(1S-[2-{4-[(2R)-methyl-3-(4-chlor...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C30H42Cl2N4O2/c1-21(2)18-27(33-29(37)12-13-34(4)5)26-20-25(32)10-11-28(26)35-14-16-36(17-15-35)30(38)22(3)19-23-6-8-24(31)9-7-23/h6-11,20-22,27H,12-19H2,1-5H3,(H,33,37)/t22-,27+/m1/s1
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18n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse MC4R


J Med Chem 50: 6356-66 (2007)


Article DOI: 10.1021/jm701137s
BindingDB Entry DOI: 10.7270/Q2P84BM9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50252902
PNG
(Ac-His-DNal(2)-Arg-Trp-NH2 | CHEMBL454736)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,29.31,wD:14.14,40.42,(4.17,-10.81,;2.84,-10.04,;2.84,-8.5,;1.5,-10.81,;1.5,-12.35,;.17,-13.12,;-1.16,-12.35,;-1.31,-10.85,;-2.79,-10.52,;-3.53,-11.84,;-2.51,-12.96,;2.84,-13.12,;2.84,-14.66,;4.17,-12.35,;5.5,-13.12,;5.5,-14.66,;6.83,-15.42,;8.16,-14.65,;9.48,-15.41,;9.48,-16.95,;10.82,-17.73,;10.82,-19.27,;9.46,-20.04,;8.14,-19.26,;8.14,-17.72,;6.82,-16.95,;6.83,-12.35,;6.83,-10.81,;8.17,-13.1,;9.51,-12.34,;9.51,-10.8,;10.84,-10.03,;10.84,-8.49,;12.17,-7.72,;12.17,-6.18,;10.85,-5.4,;13.5,-5.41,;10.84,-13.1,;10.84,-14.64,;12.17,-12.33,;13.5,-13.11,;13.5,-14.65,;14.84,-15.42,;16.27,-14.7,;17.32,-15.82,;16.59,-17.17,;17.09,-18.64,;16.08,-19.79,;14.56,-19.51,;14.06,-18.04,;15.07,-16.88,;14.84,-12.34,;16.17,-13.11,;14.84,-10.8,)|
Show InChI InChI=1S/C38H45N11O5/c1-22(50)46-33(18-27-20-42-21-45-27)37(54)49-32(16-23-12-13-24-7-2-3-8-25(24)15-23)36(53)47-30(11-6-14-43-38(40)41)35(52)48-31(34(39)51)17-26-19-44-29-10-5-4-9-28(26)29/h2-5,7-10,12-13,15,19-21,30-33,44H,6,11,14,16-18H2,1H3,(H2,39,51)(H,42,45)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,40,41,43)/t30-,31-,32-,33+/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MC4R expressed in HEK293 cells assessed as effect on MT2 peptide-induced response by CRE/beta-galactosidase reporter gen...


J Med Chem 51: 5585-93 (2008)


Article DOI: 10.1021/jm800291b
BindingDB Entry DOI: 10.7270/Q2K64JZN
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089398
PNG
(CHEMBL3577981)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C50H64N12O9/c1-30-42(64)60-38(28-33-18-9-4-10-19-33)48(70)62-25-13-22-40(62)49(71)61-24-12-21-39(61)47(69)56-34(20-11-23-54-50(52)53)43(65)57-35(26-31-14-5-2-6-15-31)45(67)58-36(27-32-16-7-3-8-17-32)46(68)59-37(29-41(51)63)44(66)55-30/h2-10,14-19,30,34-40H,11-13,20-29H2,1H3,(H2,51,63)(H,55,66)(H,56,69)(H,57,65)(H,58,67)(H,59,68)(H,60,64)(H4,52,53,54)/t30-,34-,35-,36-,37-,38-,39-,40+/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50142891
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1C1=NCCN1 |t:19|
Show InChI InChI=1S/C18H19BrN2O/c1-22-17-9-8-15(19)12-14(17)7-6-13-4-2-3-5-16(13)18-20-10-11-21-18/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,21)
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39n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...


J Med Chem 47: 1602-4 (2004)


Article DOI: 10.1021/jm034244g
BindingDB Entry DOI: 10.7270/Q2JQ10GG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50258943
PNG
(CHEMBL4060087)
Show SMILES C[C@@H]1NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC1=O |r|
Show InChI InChI=1S/C38H53N11O9S2/c1-21-31(52)48-28(19-59)37(58)49-29(20-60)36(57)45-24(13-8-14-41-38(39)40)33(54)47-26(16-23-11-6-3-7-12-23)34(55)46-25(15-22-9-4-2-5-10-22)32(53)42-17-30(51)44-27(18-50)35(56)43-21/h2-7,9-12,21,24-29,50,59-60H,8,13-20H2,1H3,(H,42,53)(H,43,56)(H,44,51)(H,45,57)(H,46,55)(H,47,54)(H,48,52)(H,49,58)(H4,39,40,41)/t21-,24-,25-,26-,27-,28-,29-/m0/s1
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54n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from mouse melanocortin receptor 4 expressed in HEK293 cells after 2 hrs by scintillation counting method


J Med Chem 60: 8103-8114 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00856
BindingDB Entry DOI: 10.7270/Q2DN47H1
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089422
PNG
(CHEMBL3577978)
Show SMILES [H][C@]12CSSC[C@@]([H])(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C82H108N22O19S4/c1-43-68(111)95-55(33-46-15-7-4-8-16-46)73(116)103-63-41-126-125-40-62(77(120)94-54(22-14-32-90-82(87)88)69(112)96-56(34-47-17-9-5-10-18-47)71(114)97-57(35-48-19-11-6-12-20-48)72(115)100-60(38-65(83)109)70(113)91-43)102-75(118)59(37-50-25-29-52(108)30-26-50)99-79(122)64(104-80(123)66(44(2)105)92-45(3)106)42-127-124-39-61(76(119)93-53(67(84)110)21-13-31-89-81(85)86)101-74(117)58(98-78(63)121)36-49-23-27-51(107)28-24-49/h4-12,15-20,23-30,43-44,53-64,66,105,107-108H,13-14,21-22,31-42H2,1-3H3,(H2,83,109)(H2,84,110)(H,91,113)(H,92,106)(H,93,119)(H,94,120)(H,95,111)(H,96,112)(H,97,114)(H,98,121)(H,99,122)(H,100,115)(H,101,117)(H,102,118)(H,103,116)(H,104,123)(H4,85,86,89)(H4,87,88,90)/t43-,44+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64-,66-/m0/s1
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63n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089412
PNG
(CHEMBL3577994)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc1ccc3ccccc3c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-15-6-3-7-16-34)52(74)66-26-12-21-44(66)53(75)65-25-11-20-43(65)51(73)60-38(19-10-24-58-54(56)57)47(69)61-39(28-33-13-4-2-5-14-33)49(71)62-40(50(72)63-41(31-45(55)67)48(70)59-32)30-35-22-23-36-17-8-9-18-37(36)27-35/h2-9,13-18,22-23,27,32,38-44H,10-12,19-21,24-26,28-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,71)(H,63,72)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1
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63n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50142894
PNG
(2-[2-(5-Bromo-2-methoxy-benzylsulfanyl)-phenyl]-1,...)
Show SMILES COc1ccc(Br)cc1CSc1ccccc1C1=NCCCN1 |t:19|
Show InChI InChI=1S/C18H19BrN2OS/c1-22-16-8-7-14(19)11-13(16)12-23-17-6-3-2-5-15(17)18-20-9-4-10-21-18/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,21)
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67n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...


J Med Chem 47: 1602-4 (2004)


Article DOI: 10.1021/jm034244g
BindingDB Entry DOI: 10.7270/Q2JQ10GG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089402
PNG
(CHEMBL3577985)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C51H66N12O9/c1-31-43(65)61-39(29-34-18-9-4-10-19-34)49(71)63-27-13-22-41(63)50(72)62-26-12-21-40(62)48(70)58-35(20-11-25-55-51(53)54)44(66)57-36(24-23-32-14-5-2-6-15-32)45(67)59-37(28-33-16-7-3-8-17-33)47(69)60-38(30-42(52)64)46(68)56-31/h2-10,14-19,31,35-41H,11-13,20-30H2,1H3,(H2,52,64)(H,56,68)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,61,65)(H4,53,54,55)/t31-,35-,36?,37-,38-,39-,40-,41+/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089405
PNG
(CHEMBL3577987)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C54H66N12O9/c1-32-46(68)64-42(29-34-15-6-3-7-16-34)52(74)66-26-12-21-44(66)53(75)65-25-11-20-43(65)51(73)60-38(19-10-24-58-54(56)57)47(69)61-40(30-35-22-23-36-17-8-9-18-37(36)27-35)50(72)62-39(28-33-13-4-2-5-14-33)49(71)63-41(31-45(55)67)48(70)59-32/h2-9,13-18,22-23,27,32,38-44H,10-12,19-21,24-26,28-31H2,1H3,(H2,55,67)(H,59,70)(H,60,73)(H,61,69)(H,62,72)(H,63,71)(H,64,68)(H4,56,57,58)/t32-,38-,39-,40?,41-,42-,43-,44+/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50549822
PNG
(CHEMBL4795352)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
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125n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00561
BindingDB Entry DOI: 10.7270/Q2N301KK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50266713
PNG
(CHEMBL4089759)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C39H45IN8O5/c1-24(49)45-33(23-27-13-16-28-10-5-6-11-29(28)20-27)37(52)46-31(12-7-19-44-39(42)43)36(51)48-34(22-26-14-17-30(40)18-15-26)38(53)47-32(35(41)50)21-25-8-3-2-4-9-25/h2-6,8-11,13-18,20,31-34H,7,12,19,21-23H2,1H3,(H2,41,50)(H,45,49)(H,46,52)(H,47,53)(H,48,51)(H4,42,43,44)/t31-,32-,33+,34+/m0/s1
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126n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MC4R expressed in HEK293 cells assessed as inhibition of NDP-MSH induced-cAMP accumulation after 2 hrs by alpha screen a...


J Med Chem 60: 4342-4357 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089406
PNG
(CHEMBL3577988)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C56H68N12O9/c1-34-48(70)66-44(32-36-16-7-3-8-17-36)54(76)68-29-13-22-46(68)55(77)67-28-12-21-45(67)53(75)62-40(20-11-27-60-56(58)59)49(71)63-41(30-35-14-5-2-6-15-35)51(73)64-42(52(74)65-43(33-47(57)69)50(72)61-34)31-37-23-25-39(26-24-37)38-18-9-4-10-19-38/h2-10,14-19,23-26,34,40-46H,11-13,20-22,27-33H2,1H3,(H2,57,69)(H,61,72)(H,62,75)(H,63,71)(H,64,73)(H,65,74)(H,66,70)(H4,58,59,60)/t34-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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160n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089399
PNG
(CHEMBL3577982)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
Show InChI InChI=1S/C56H68N12O9/c1-34-48(70)66-44(32-36-16-7-3-8-17-36)54(76)68-29-13-22-46(68)55(77)67-28-12-21-45(67)53(75)62-40(20-11-27-60-56(58)59)49(71)63-42(31-37-23-25-39(26-24-37)38-18-9-4-10-19-38)51(73)64-41(30-35-14-5-2-6-15-35)52(74)65-43(33-47(57)69)50(72)61-34/h2-10,14-19,23-26,34,40-46H,11-13,20-22,27-33H2,1H3,(H2,57,69)(H,61,72)(H,62,75)(H,63,71)(H,64,73)(H,65,74)(H,66,70)(H4,58,59,60)/t34-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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160n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089424
PNG
(CHEMBL3577979)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O |r|
Show InChI InChI=1S/C74H92N16O15/c1-42-62(94)82-52(22-13-33-78-74(76)77)65(97)84-55(37-46-18-9-5-10-19-46)69(101)85-56(38-47-20-11-6-12-21-47)70(102)86-57(41-61(75)93)68(100)81-43(2)63(95)83-53(36-45-16-7-4-8-17-45)66(98)80-44(3)64(96)88-58(40-49-27-31-51(92)32-28-49)72(104)90-35-15-24-60(90)73(105)89-34-14-23-59(89)71(103)87-54(67(99)79-42)39-48-25-29-50(91)30-26-48/h4-12,16-21,25-32,42-44,52-60,91-92H,13-15,22-24,33-41H2,1-3H3,(H2,75,93)(H,79,99)(H,80,98)(H,81,100)(H,82,94)(H,83,95)(H,84,97)(H,85,101)(H,86,102)(H,87,103)(H,88,96)(H4,76,77,78)/t42-,43-,44-,52-,53-,54-,55-,56-,57-,58-,59-,60+/m0/s1
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160n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089421
PNG
(CHEMBL3577977)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C84H114N22O21S2/c1-43-70(115)97-57(35-48-17-9-6-10-18-48)75(120)104-64(79(124)100-61(39-52-27-31-54(112)32-28-52)77(122)105-67(45(3)108)80(125)95-55(69(86)114)23-15-33-91-83(87)88)42-129-128-41-63(103-76(121)60(38-51-25-29-53(111)30-26-51)102-81(126)68(46(4)109)106-82(127)66(44(2)107)94-47(5)110)78(123)96-56(24-16-34-92-84(89)90)71(116)98-58(36-49-19-11-7-12-20-49)73(118)99-59(37-50-21-13-8-14-22-50)74(119)101-62(40-65(85)113)72(117)93-43/h6-14,17-22,25-32,43-46,55-64,66-68,107-109,111-112H,15-16,23-24,33-42H2,1-5H3,(H2,85,113)(H2,86,114)(H,93,117)(H,94,110)(H,95,125)(H,96,123)(H,97,115)(H,98,116)(H,99,118)(H,100,124)(H,101,119)(H,102,126)(H,103,121)(H,104,120)(H,105,122)(H,106,127)(H4,87,88,91)(H4,89,90,92)/t43-,44+,45+,46+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1
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160n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50142895
PNG
(2-(2-(5-bromo-2-methoxyphenethyl)-3-fluorophenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1 |t:20|
Show InChI InChI=1S/C18H18BrFN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22)
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160n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...


J Med Chem 47: 1602-4 (2004)


Article DOI: 10.1021/jm034244g
BindingDB Entry DOI: 10.7270/Q2JQ10GG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50549823
PNG
(CHEMBL4748317)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
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160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00561
BindingDB Entry DOI: 10.7270/Q2N301KK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50142897
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1C1=NCCCN1 |t:19|
Show InChI InChI=1S/C19H21BrN2O/c1-23-18-10-9-16(20)13-15(18)8-7-14-5-2-3-6-17(14)19-21-11-4-12-22-19/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,21,22)
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220n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...


J Med Chem 47: 1602-4 (2004)


Article DOI: 10.1021/jm034244g
BindingDB Entry DOI: 10.7270/Q2JQ10GG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50549819
PNG
(CHEMBL4791112)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
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250n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00561
BindingDB Entry DOI: 10.7270/Q2N301KK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089420
PNG
(CHEMBL3577976)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C82H110N22O19S2/c1-43(68(111)95-55(67(84)110)23-15-33-89-81(85)86)91-72(115)57(38-51-25-29-53(107)30-26-51)101-79(122)64-42-125-124-41-63(103-77(120)59(39-52-27-31-54(108)32-28-52)98-70(113)45(3)93-80(123)66(46(4)105)94-47(5)106)78(121)96-56(24-16-34-90-82(87)88)71(114)99-60(36-49-19-11-7-12-20-49)74(117)100-61(37-50-21-13-8-14-22-50)75(118)102-62(40-65(83)109)73(116)92-44(2)69(112)97-58(76(119)104-64)35-48-17-9-6-10-18-48/h6-14,17-22,25-32,43-46,55-64,66,105,107-108H,15-16,23-24,33-42H2,1-5H3,(H2,83,109)(H2,84,110)(H,91,115)(H,92,116)(H,93,123)(H,94,106)(H,95,111)(H,96,121)(H,97,112)(H,98,113)(H,99,114)(H,100,117)(H,101,122)(H,102,118)(H,103,120)(H,104,119)(H4,85,86,89)(H4,87,88,90)/t43-,44-,45-,46+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-/m0/s1
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320n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50549815
PNG
(CHEMBL4754987)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
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320n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00561
BindingDB Entry DOI: 10.7270/Q2N301KK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50549814
PNG
(CHEMBL4794484)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
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320n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00561
BindingDB Entry DOI: 10.7270/Q2N301KK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50549818
PNG
(CHEMBL4783292)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
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400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00561
BindingDB Entry DOI: 10.7270/Q2N301KK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50089408
PNG
(CHEMBL3577990)
Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)c1ccccc1 |r|
Show InChI InChI=1S/C49H62N12O9/c1-29-41(63)58-36(27-31-16-7-3-8-17-31)47(69)61-25-13-22-38(61)48(70)60-24-12-21-37(60)45(67)55-33(20-11-23-53-49(51)52)42(64)56-34(26-30-14-5-2-6-15-30)44(66)59-40(32-18-9-4-10-19-32)46(68)57-35(28-39(50)62)43(65)54-29/h2-10,14-19,29,33-38,40H,11-13,20-28H2,1H3,(H2,50,62)(H,54,65)(H,55,67)(H,56,64)(H,57,68)(H,58,63)(H,59,66)(H4,51,52,53)/t29-,33-,34-,35-,36-,37-,38+,40?/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of MTII from mouse MC4R expressed in HEK293 cells


J Med Chem 58: 4638-47 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00184
BindingDB Entry DOI: 10.7270/Q2T155C9
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50549824
PNG
(CHEMBL4792291)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
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2.00E+3n/an/an/an/an/an/an/an/a


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Assay Description
Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00561
BindingDB Entry DOI: 10.7270/Q2N301KK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50142893
PNG
(2-[2-(2,5-Dichloro-thiophen-3-ylmethylsulfanyl)-ph...)
Show SMILES Clc1cc(CSc2ccccc2C2=NCCCN2)c(Cl)s1 |t:13|
Show InChI InChI=1S/C15H14Cl2N2S2/c16-13-8-10(14(17)21-13)9-20-12-5-2-1-4-11(12)15-18-6-3-7-19-15/h1-2,4-5,8H,3,6-7,9H2,(H,18,19)
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2.20E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...


J Med Chem 47: 1602-4 (2004)


Article DOI: 10.1021/jm034244g
BindingDB Entry DOI: 10.7270/Q2JQ10GG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50142896
PNG
(2-[2-(2-Chloro-6-fluoro-benzylsulfanyl)-phenyl]-1,...)
Show SMILES Fc1cccc(Cl)c1CSc1ccccc1C1=NCCCN1 |t:18|
Show InChI InChI=1S/C17H16ClFN2S/c18-14-6-3-7-15(19)13(14)11-22-16-8-2-1-5-12(16)17-20-9-4-10-21-17/h1-3,5-8H,4,9-11H2,(H,20,21)
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Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...


J Med Chem 47: 1602-4 (2004)


Article DOI: 10.1021/jm034244g
BindingDB Entry DOI: 10.7270/Q2JQ10GG
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50549817
PNG
(CHEMBL4764827)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
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3.98E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00561
BindingDB Entry DOI: 10.7270/Q2N301KK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50549820
PNG
(CHEMBL4765199)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00561
BindingDB Entry DOI: 10.7270/Q2N301KK
More data for this
Ligand-Target Pair
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