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Compile Data Set for Download or QSAR

Found 6107 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor (M1 and M4)' AND taxid = 9606   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50114083
PNG
(9-Benzyl-12-(3H-imidazol-4-ylmethyl)-3-(1H-indol-3...)
Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C39H48N10O7/c1-23-36(53)48-31(18-25-20-43-28-12-6-5-11-27(25)28)38(55)47-29(35(40)52)13-7-8-16-42-33(50)14-15-34(51)46-32(19-26-21-41-22-44-26)39(56)49-30(37(54)45-23)17-24-9-3-2-4-10-24/h2-6,9-12,20-23,29-32,43H,7-8,13-19H2,1H3,(H2,40,52)(H,41,44)(H,42,50)(H,45,54)(H,46,51)(H,47,55)(H,48,53)(H,49,56)/t23-,29+,30+,31+,32-/m0/s1
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0n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity for human Melanocortin-4 receptor (hMC4R)


J Med Chem 45: 2644-50 (2002)


Article DOI: 10.1021/jm020021z
BindingDB Entry DOI: 10.7270/Q2RB75B3
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50114077
PNG
(6-(3-Guanidino-propyl)-12-(3H-imidazol-4-ylmethyl)...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C36H51N13O7/c1-20-32(53)48-26(10-6-14-42-36(38)39)33(54)49-27(15-21-17-43-24-8-3-2-7-23(21)24)35(56)47-25(31(37)52)9-4-5-13-41-29(50)11-12-30(51)46-28(34(55)45-20)16-22-18-40-19-44-22/h2-3,7-8,17-20,25-28,43H,4-6,9-16H2,1H3,(H2,37,52)(H,40,44)(H,41,50)(H,45,55)(H,46,51)(H,47,56)(H,48,53)(H,49,54)(H4,38,39,42)/t20-,25-,26+,27-,28+/m1/s1
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0n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity for human Melanocortin-4 receptor (hMC4R)


J Med Chem 45: 2644-50 (2002)


Article DOI: 10.1021/jm020021z
BindingDB Entry DOI: 10.7270/Q2RB75B3
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250661
PNG
(US9447148, 9.30)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C51H68N14O9/c1-3-4-18-36(59-30(2)66)45(69)61-38-20-21-43(67)56-24-22-39(48(72)63-40(44(52)68)26-33-16-10-15-32-14-8-9-17-35(32)33)62-46(70)37(19-11-23-57-51(53)54)60-49(73)41(25-31-12-6-5-7-13-31)64-50(74)42(65-47(38)71)27-34-28-55-29-58-34/h5-10,12-17,28-29,36-42H,3-4,11,18-27H2,1-2H3,(H2,52,68)(H,55,58)(H,56,67)(H,59,66)(H,60,73)(H,61,69)(H,62,70)(H,63,72)(H,64,74)(H,65,71)(H4,53,54,57)/t36-,37-,38-,39-,40-,41+,42-/m0/s1
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0.00500n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50131251
PNG
((S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35-,36-/m0/s1
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0.00600n/an/an/an/an/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 13: 2647-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00552-3
BindingDB Entry DOI: 10.7270/Q2474BD9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250642
PNG
(US9447148, 9.10)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C51H68N14O9/c1-3-4-15-36(59-30(2)66)45(69)61-38-19-20-43(67)56-23-21-39(48(72)63-40(44(52)68)26-32-17-18-33-13-8-9-14-34(33)24-32)62-46(70)37(16-10-22-57-51(53)54)60-49(73)41(25-31-11-6-5-7-12-31)64-50(74)42(65-47(38)71)27-35-28-55-29-58-35/h5-9,11-14,17-18,24,28-29,36-42H,3-4,10,15-16,19-23,25-27H2,1-2H3,(H2,52,68)(H,55,58)(H,56,67)(H,59,66)(H,60,73)(H,61,69)(H,62,70)(H,63,72)(H,64,74)(H,65,71)(H4,53,54,57)/t36-,37-,38-,39-,40-,41+,42-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250633
PNG
(US9447148, 9.1)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C51H71N15O9/c1-3-4-16-36(60-30(2)67)45(70)63-39-20-21-43(68)56-22-11-10-18-37(47(72)64-40(44(52)69)25-32-27-58-35-17-9-8-15-34(32)35)61-46(71)38(19-12-23-57-51(53)54)62-49(74)41(24-31-13-6-5-7-14-31)65-50(75)42(66-48(39)73)26-33-28-55-29-59-33/h5-9,13-15,17,27-29,36-42,58H,3-4,10-12,16,18-26H2,1-2H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,71)(H,62,74)(H,63,70)(H,64,72)(H,65,75)(H,66,73)(H4,53,54,57)/t36-,37-,38-,39-,40-,41+,42-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250653
PNG
(US9447148, 9.22)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)CC1CCCCC1
Show InChI InChI=1S/C49H66N14O8/c50-43(66)38(24-31-26-56-34-15-8-7-14-33(31)34)61-46(69)37-19-21-54-41(64)18-17-36(58-42(65)23-30-12-5-2-6-13-30)45(68)63-40(25-32-27-53-28-57-32)48(71)62-39(22-29-10-3-1-4-11-29)47(70)59-35(44(67)60-37)16-9-20-55-49(51)52/h1,3-4,7-8,10-11,14-15,26-28,30,35-40,56H,2,5-6,9,12-13,16-25H2,(H2,50,66)(H,53,57)(H,54,64)(H,58,65)(H,59,70)(H,60,67)(H,61,69)(H,62,71)(H,63,68)(H4,51,52,55)/t35-,36-,37-,38-,39+,40-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250652
PNG
(US9447148, 9.21)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)CC1CCCC1
Show InChI InChI=1S/C48H64N14O8/c49-42(65)37(23-30-25-55-33-14-7-6-13-32(30)33)60-45(68)36-18-20-53-40(63)17-16-35(57-41(64)22-29-11-4-5-12-29)44(67)62-39(24-31-26-52-27-56-31)47(70)61-38(21-28-9-2-1-3-10-28)46(69)58-34(43(66)59-36)15-8-19-54-48(50)51/h1-3,6-7,9-10,13-14,25-27,29,34-39,55H,4-5,8,11-12,15-24H2,(H2,49,65)(H,52,56)(H,53,63)(H,57,64)(H,58,69)(H,59,66)(H,60,68)(H,61,70)(H,62,67)(H4,50,51,54)/t34-,35-,36-,37-,38+,39-/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250634
PNG
(US9447148, 9.2 | US9447148, 9.31)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C49H67N15O9/c1-3-4-14-34(58-28(2)65)43(68)60-36-17-18-41(66)54-21-19-37(46(71)62-38(42(50)67)23-30-25-56-33-15-9-8-13-32(30)33)61-44(69)35(16-10-20-55-49(51)52)59-47(72)39(22-29-11-6-5-7-12-29)63-48(73)40(64-45(36)70)24-31-26-53-27-57-31/h5-9,11-13,15,25-27,34-40,56H,3-4,10,14,16-24H2,1-2H3,(H2,50,67)(H,53,57)(H,54,66)(H,58,65)(H,59,72)(H,60,68)(H,61,69)(H,62,71)(H,63,73)(H,64,70)(H4,51,52,55)/t34-,35-,36-,37-,38-,39+,40-/m0/s1
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0.0120n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250668
PNG
(US9447148, 9.37 | US9447148, 9.50)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C49H72N16O9/c1-3-4-15-33(59-28(2)66)42(69)62-36-19-20-40(67)55-24-21-37(46(73)64-38(41(50)68)26-30-27-58-32-16-9-8-14-31(30)32)63-43(70)34(17-10-22-56-48(51)52)61-47(74)39(25-29-12-6-5-7-13-29)65-44(71)35(60-45(36)72)18-11-23-57-49(53)54/h5-9,12-14,16,27,33-39,58H,3-4,10-11,15,17-26H2,1-2H3,(H2,50,68)(H,55,67)(H,59,66)(H,60,72)(H,61,74)(H,62,69)(H,63,70)(H,64,73)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t33-,34-,35-,36-,37-,38-,39+/m0/s1
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0.0140n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250668
PNG
(US9447148, 9.37 | US9447148, 9.50)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C49H72N16O9/c1-3-4-15-33(59-28(2)66)42(69)62-36-19-20-40(67)55-24-21-37(46(73)64-38(41(50)68)26-30-27-58-32-16-9-8-14-31(30)32)63-43(70)34(17-10-22-56-48(51)52)61-47(74)39(25-29-12-6-5-7-13-29)65-44(71)35(60-45(36)72)18-11-23-57-49(53)54/h5-9,12-14,16,27,33-39,58H,3-4,10-11,15,17-26H2,1-2H3,(H2,50,68)(H,55,67)(H,59,66)(H,60,72)(H,61,74)(H,62,69)(H,63,70)(H,64,73)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t33-,34-,35-,36-,37-,38-,39+/m0/s1
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0.0140n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250658
PNG
(US9447148, 9.27)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCNC(=O)CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C52H72N16O10/c1-3-4-14-36(62-30(2)69)46(73)64-39-20-23-58-44(71)18-17-43(70)57-22-19-38(48(75)66-40(45(53)72)25-32-27-60-35-15-9-8-13-34(32)35)65-47(74)37(16-10-21-59-52(54)55)63-50(77)41(24-31-11-6-5-7-12-31)67-51(78)42(68-49(39)76)26-33-28-56-29-61-33/h5-9,11-13,15,27-29,36-42,60H,3-4,10,14,16-26H2,1-2H3,(H2,53,72)(H,56,61)(H,57,70)(H,58,71)(H,62,69)(H,63,77)(H,64,73)(H,65,74)(H,66,75)(H,67,78)(H,68,76)(H4,54,55,59)/t36-,37-,38-,39-,40-,41+,42-/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250673
PNG
(US9447148, 9.42 | US9447148, 9.55)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C48H70N14O9/c1-3-4-15-33(56-28(2)63)42(66)59-36-19-20-40(64)53-24-21-37(46(70)61-38(41(50)65)26-30-27-55-32-16-9-8-14-31(30)32)60-43(67)35(18-11-23-54-48(51)52)58-47(71)39(25-29-12-6-5-7-13-29)62-44(68)34(17-10-22-49)57-45(36)69/h5-9,12-14,16,27,33-39,55H,3-4,10-11,15,17-26,49H2,1-2H3,(H2,50,65)(H,53,64)(H,56,63)(H,57,69)(H,58,71)(H,59,66)(H,60,67)(H,61,70)(H,62,68)(H4,51,52,54)/t33-,34-,35-,36-,37-,38-,39+/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250673
PNG
(US9447148, 9.42 | US9447148, 9.55)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C48H70N14O9/c1-3-4-15-33(56-28(2)63)42(66)59-36-19-20-40(64)53-24-21-37(46(70)61-38(41(50)65)26-30-27-55-32-16-9-8-14-31(30)32)60-43(67)35(18-11-23-54-48(51)52)58-47(71)39(25-29-12-6-5-7-13-29)62-44(68)34(17-10-22-49)57-45(36)69/h5-9,12-14,16,27,33-39,55H,3-4,10-11,15,17-26,49H2,1-2H3,(H2,50,65)(H,53,64)(H,56,63)(H,57,69)(H,58,71)(H,59,66)(H,60,67)(H,61,70)(H,62,68)(H4,51,52,54)/t33-,34-,35-,36-,37-,38-,39+/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250649
PNG
(US9447148, 9.18)
Show SMILES CCCCCCC(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C48H66N14O8/c1-2-3-4-8-17-41(64)57-35-18-19-40(63)53-22-20-36(45(68)60-37(42(49)65)24-30-26-55-33-15-10-9-14-32(30)33)59-43(66)34(16-11-21-54-48(50)51)58-46(69)38(23-29-12-6-5-7-13-29)61-47(70)39(62-44(35)67)25-31-27-52-28-56-31/h5-7,9-10,12-15,26-28,34-39,55H,2-4,8,11,16-25H2,1H3,(H2,49,65)(H,52,56)(H,53,63)(H,57,64)(H,58,69)(H,59,66)(H,60,68)(H,61,70)(H,62,67)(H4,50,51,54)/t34-,35-,36-,37-,38+,39-/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250643
PNG
(US9447148, 9.11)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C51H68N14O9/c1-3-4-15-36(59-30(2)66)45(69)61-38-19-20-43(67)56-23-21-39(48(72)63-40(44(52)68)26-32-17-18-33-13-8-9-14-34(33)24-32)62-46(70)37(16-10-22-57-51(53)54)60-49(73)41(25-31-11-6-5-7-12-31)64-50(74)42(65-47(38)71)27-35-28-55-29-58-35/h5-9,11-14,17-18,24,28-29,36-42H,3-4,10,15-16,19-23,25-27H2,1-2H3,(H2,52,68)(H,55,58)(H,56,67)(H,59,66)(H,60,73)(H,61,69)(H,62,70)(H,63,72)(H,64,74)(H,65,71)(H4,53,54,57)/t36-,37-,38-,39-,40+,41+,42-/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82411
PNG
(CAS_75921-69-6 | NDP-MSH)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)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(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
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0.0231n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM85021
PNG
(alpha-MSH, [Nle4, D-Phe7])
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)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(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C78H110N20O20/c1-5-6-19-52(90-74(114)61(41-100)96-71(111)57(34-46-24-26-49(102)27-25-46)93-73(113)60(40-99)87-44(4)101)67(107)91-54(28-29-64(104)105)69(109)95-59(36-48-38-82-42-86-48)72(112)92-56(33-45-16-8-7-9-17-45)70(110)89-53(22-14-31-83-78(80)81)68(108)94-58(35-47-37-84-51-20-11-10-18-50(47)51)66(106)85-39-63(103)88-55(21-12-13-30-79)76(116)98-32-15-23-62(98)75(115)97-65(43(2)3)77(117)118/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,84,99-100,102H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H,82,86)(H,85,106)(H,87,101)(H,88,103)(H,89,110)(H,90,114)(H,91,107)(H,92,112)(H,93,113)(H,94,108)(H,95,109)(H,96,111)(H,97,115)(H,104,105)(H,117,118)(H4,80,81,83)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
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0.0231n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250660
PNG
(US9447148, 9.29)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCNC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C51H70N16O10/c1-3-4-14-35(61-29(2)68)45(72)63-37-19-21-56-42(69)17-18-43(70)59-27-41(50(77)64-38(44(52)71)23-31-25-58-34-15-9-8-13-33(31)34)67-46(73)36(16-10-20-57-51(53)54)62-48(75)39(22-30-11-6-5-7-12-30)65-49(76)40(66-47(37)74)24-32-26-55-28-60-32/h5-9,11-13,15,25-26,28,35-41,58H,3-4,10,14,16-24,27H2,1-2H3,(H2,52,71)(H,55,60)(H,56,69)(H,59,70)(H,61,68)(H,62,75)(H,63,72)(H,64,77)(H,65,76)(H,66,74)(H,67,73)(H4,53,54,57)/t35-,36-,37-,38-,39+,40-,41-/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250651
PNG
(US9447148, 9.20)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C1CCCCC1
Show InChI InChI=1S/C48H64N14O8/c49-41(64)37(23-30-25-55-33-15-8-7-14-32(30)33)60-45(68)36-19-21-53-40(63)18-17-35(57-42(65)29-12-5-2-6-13-29)44(67)62-39(24-31-26-52-27-56-31)47(70)61-38(22-28-10-3-1-4-11-28)46(69)58-34(43(66)59-36)16-9-20-54-48(50)51/h1,3-4,7-8,10-11,14-15,25-27,29,34-39,55H,2,5-6,9,12-13,16-24H2,(H2,49,64)(H,52,56)(H,53,63)(H,57,65)(H,58,69)(H,59,66)(H,60,68)(H,61,70)(H,62,67)(H4,50,51,54)/t34-,35-,36-,37-,38+,39-/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250648
PNG
(US9447148, 9.17)
Show SMILES CCCCCC(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C47H64N14O8/c1-2-3-5-16-40(63)56-34-17-18-39(62)52-21-19-35(44(67)59-36(41(48)64)23-29-25-54-32-14-9-8-13-31(29)32)58-42(65)33(15-10-20-53-47(49)50)57-45(68)37(22-28-11-6-4-7-12-28)60-46(69)38(61-43(34)66)24-30-26-51-27-55-30/h4,6-9,11-14,25-27,33-38,54H,2-3,5,10,15-24H2,1H3,(H2,48,64)(H,51,55)(H,52,62)(H,56,63)(H,57,68)(H,58,65)(H,59,67)(H,60,69)(H,61,66)(H4,49,50,53)/t33-,34-,35-,36-,37+,38-/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250655
PNG
(US9447148, 9.24)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C50H62N14O8/c51-44(67)39(25-32-27-57-35-15-8-7-14-34(32)35)62-47(70)38-21-23-55-42(65)20-18-37(59-43(66)19-17-30-10-3-1-4-11-30)46(69)64-41(26-33-28-54-29-58-33)49(72)63-40(24-31-12-5-2-6-13-31)48(71)60-36(45(68)61-38)16-9-22-56-50(52)53/h1-8,10-15,27-29,36-41,57H,9,16-26H2,(H2,51,67)(H,54,58)(H,55,65)(H,59,66)(H,60,71)(H,61,68)(H,62,70)(H,63,72)(H,64,69)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250659
PNG
(US9447148, 9.28)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C50H68N16O10/c1-3-4-14-34(60-28(2)67)44(71)65-40-26-58-42(69)18-17-41(68)57-25-39(48(75)62-36(43(51)70)21-30-23-56-33-15-9-8-13-32(30)33)66-45(72)35(16-10-19-55-50(52)53)61-46(73)37(20-29-11-6-5-7-12-29)63-47(74)38(64-49(40)76)22-31-24-54-27-59-31/h5-9,11-13,15,23-24,27,34-40,56H,3-4,10,14,16-22,25-26H2,1-2H3,(H2,51,70)(H,54,59)(H,57,68)(H,58,69)(H,60,67)(H,61,73)(H,62,75)(H,63,74)(H,64,76)(H,65,71)(H,66,72)(H4,52,53,55)/t34-,35-,36-,37+,38-,39-,40-/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82412
PNG
(ALPHA-MSH | CAS_10466-28-1 | alpha MSH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)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(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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0.0334n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82412
PNG
(ALPHA-MSH | CAS_10466-28-1 | alpha MSH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)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(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C77H108N20O20S/c1-42(2)64(76(116)117)96-74(114)61-20-13-30-97(61)75(115)54(18-10-11-28-78)87-62(102)38-84-65(105)57(34-46-36-83-50-17-9-8-16-49(46)50)93-66(106)51(19-12-29-82-77(79)80)88-69(109)55(32-44-14-6-5-7-15-44)91-71(111)58(35-47-37-81-41-85-47)94-67(107)52(25-26-63(103)104)89-68(108)53(27-31-118-4)90-73(113)60(40-99)95-70(110)56(33-45-21-23-48(101)24-22-45)92-72(112)59(39-98)86-43(3)100/h5-9,14-17,21-24,36-37,41-42,51-61,64,83,98-99,101H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H,81,85)(H,84,105)(H,86,100)(H,87,102)(H,88,109)(H,89,108)(H,90,113)(H,91,111)(H,92,112)(H,93,106)(H,94,107)(H,95,110)(H,96,114)(H,103,104)(H,116,117)(H4,79,80,82)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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0.0334n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250671
PNG
(US9447148, 9.40 | US9447148, 9.53)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C49H72N14O9/c1-3-4-16-34(57-29(2)64)43(67)60-37-20-21-41(65)54-25-22-38(47(71)62-39(42(51)66)27-31-28-56-33-17-9-8-15-32(31)33)61-44(68)36(19-12-24-55-49(52)53)59-48(72)40(26-30-13-6-5-7-14-30)63-45(69)35(58-46(37)70)18-10-11-23-50/h5-9,13-15,17,28,34-40,56H,3-4,10-12,16,18-27,50H2,1-2H3,(H2,51,66)(H,54,65)(H,57,64)(H,58,70)(H,59,72)(H,60,67)(H,61,68)(H,62,71)(H,63,69)(H4,52,53,55)/t34-,35-,36-,37-,38-,39-,40+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250671
PNG
(US9447148, 9.40 | US9447148, 9.53)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C49H72N14O9/c1-3-4-16-34(57-29(2)64)43(67)60-37-20-21-41(65)54-25-22-38(47(71)62-39(42(51)66)27-31-28-56-33-17-9-8-15-32(31)33)61-44(68)36(19-12-24-55-49(52)53)59-48(72)40(26-30-13-6-5-7-14-30)63-45(69)35(58-46(37)70)18-10-11-23-50/h5-9,13-15,17,28,34-40,56H,3-4,10-12,16,18-27,50H2,1-2H3,(H2,51,66)(H,54,65)(H,57,64)(H,58,70)(H,59,72)(H,60,67)(H,61,68)(H,62,71)(H,63,69)(H4,52,53,55)/t34-,35-,36-,37-,38-,39-,40+/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250654
PNG
(US9447148, 9.23)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCC(=O)NCC[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C49H60N14O8/c50-43(66)38(24-31-26-56-34-15-8-7-14-33(31)34)61-46(69)37-19-21-54-41(64)18-17-36(58-42(65)23-30-12-5-2-6-13-30)45(68)63-40(25-32-27-53-28-57-32)48(71)62-39(22-29-10-3-1-4-11-29)47(70)59-35(44(67)60-37)16-9-20-55-49(51)52/h1-8,10-15,26-28,35-40,56H,9,16-25H2,(H2,50,66)(H,53,57)(H,54,64)(H,58,65)(H,59,70)(H,60,67)(H,61,69)(H,62,71)(H,63,68)(H4,51,52,55)/t35-,36-,37-,38-,39+,40-/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250635
PNG
(US9447148, 9.3)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C48H65N15O9/c1-3-4-14-33(57-27(2)64)42(67)59-35-17-18-40(65)55-25-39(47(72)60-36(41(49)66)21-29-23-54-32-15-9-8-13-31(29)32)63-43(68)34(16-10-19-53-48(50)51)58-45(70)37(20-28-11-6-5-7-12-28)61-46(71)38(62-44(35)69)22-30-24-52-26-56-30/h5-9,11-13,15,23-24,26,33-39,54H,3-4,10,14,16-22,25H2,1-2H3,(H2,49,66)(H,52,56)(H,55,65)(H,57,64)(H,58,70)(H,59,67)(H,60,72)(H,61,71)(H,62,69)(H,63,68)(H4,50,51,53)/t33-,34-,35-,36-,37+,38-,39-/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82406
PNG
(desacetyl-alpha-MSH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)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(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C75H106N20O19S/c1-41(2)62(74(113)114)94-72(111)59-19-12-29-95(59)73(112)53(17-9-10-27-76)85-60(99)37-83-64(103)56(33-44-35-82-49-16-8-7-15-47(44)49)91-65(104)50(18-11-28-81-75(78)79)86-68(107)55(31-42-13-5-4-6-14-42)90-70(109)57(34-45-36-80-40-84-45)92-66(105)51(24-25-61(100)101)87-67(106)52(26-30-115-3)88-71(110)58(39-97)93-69(108)54(89-63(102)48(77)38-96)32-43-20-22-46(98)23-21-43/h4-8,13-16,20-23,35-36,40-41,48,50-59,62,82,96-98H,9-12,17-19,24-34,37-39,76-77H2,1-3H3,(H,80,84)(H,83,103)(H,85,99)(H,86,107)(H,87,106)(H,88,110)(H,89,102)(H,90,109)(H,91,104)(H,92,105)(H,93,108)(H,94,111)(H,100,101)(H,113,114)(H4,78,79,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
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0.0432n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82406
PNG
(desacetyl-alpha-MSH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)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(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C75H106N20O19S/c1-41(2)62(74(113)114)94-72(111)59-19-12-29-95(59)73(112)53(17-9-10-27-76)85-60(99)37-83-64(103)56(33-44-35-82-49-16-8-7-15-47(44)49)91-65(104)50(18-11-28-81-75(78)79)86-68(107)55(31-42-13-5-4-6-14-42)90-70(109)57(34-45-36-80-40-84-45)92-66(105)51(24-25-61(100)101)87-67(106)52(26-30-115-3)88-71(110)58(39-97)93-69(108)54(89-63(102)48(77)38-96)32-43-20-22-46(98)23-21-43/h4-8,13-16,20-23,35-36,40-41,48,50-59,62,82,96-98H,9-12,17-19,24-34,37-39,76-77H2,1-3H3,(H,80,84)(H,83,103)(H,85,99)(H,86,107)(H,87,106)(H,88,110)(H,89,102)(H,90,109)(H,91,104)(H,92,105)(H,93,108)(H,94,111)(H,100,101)(H,113,114)(H4,78,79,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1
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0.0432n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=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(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
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0.0460n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50151511
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250672
PNG
(US9447148, 9.41 | US9447148, 9.54)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C47H68N14O9/c1-3-4-14-32(55-27(2)62)41(65)57-34-17-18-39(63)52-23-20-36(45(69)60-37(40(49)64)25-29-26-54-31-15-9-8-13-30(29)31)59-42(66)33(16-10-22-53-47(50)51)56-46(70)38(24-28-11-6-5-7-12-28)61-44(68)35(19-21-48)58-43(34)67/h5-9,11-13,15,26,32-38,54H,3-4,10,14,16-25,48H2,1-2H3,(H2,49,64)(H,52,63)(H,55,62)(H,56,70)(H,57,65)(H,58,67)(H,59,66)(H,60,69)(H,61,68)(H4,50,51,53)/t32-,33-,34-,35-,36-,37-,38+/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50151511
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29?,30-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH


J Med Chem 47: 4613-26 (2004)


Article DOI: 10.1021/jm0311285
BindingDB Entry DOI: 10.7270/Q2BR8RNZ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250672
PNG
(US9447148, 9.41 | US9447148, 9.54)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C47H68N14O9/c1-3-4-14-32(55-27(2)62)41(65)57-34-17-18-39(63)52-23-20-36(45(69)60-37(40(49)64)25-29-26-54-31-15-9-8-13-30(29)31)59-42(66)33(16-10-22-53-47(50)51)56-46(70)38(24-28-11-6-5-7-12-28)61-44(68)35(19-21-48)58-43(34)67/h5-9,11-13,15,26,32-38,54H,3-4,10,14,16-25,48H2,1-2H3,(H2,49,64)(H,52,63)(H,55,62)(H,56,70)(H,57,65)(H,58,67)(H,59,66)(H,60,69)(H,61,68)(H4,50,51,53)/t32-,33-,34-,35-,36-,37-,38+/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160159
PNG
(US9040663, 5)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1S/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-46(76)38(23-27-24-60-31-8-3-2-7-28(27)31)67-42(72)34(11-6-20-59-48(55)56)63-45(75)37(22-26-12-13-29(49)30(50)21-26)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,21,24,32-38,60H,4-6,9-11,14-20,22-23,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,76)(H,63,75)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/m0/s1
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0.0550n/an/an/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160158
PNG
(US9040663, 4)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1S/C48H69Cl2N17O9/c1-25(68)61-33(10-5-19-58-47(53)54)41(71)64-35-14-15-39(69)57-18-4-9-32(40(52)70)62-45(75)38(22-27-24-60-31-8-3-2-7-29(27)31)67-42(72)34(11-6-20-59-48(55)56)63-46(76)37(21-26-12-13-28(49)23-30(26)50)66-44(74)36(16-17-51)65-43(35)73/h2-3,7-8,12-13,23-24,32-38,60H,4-6,9-11,14-22,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t32-,33-,34-,35-,36-,37+,38-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50105879
PNG
(15-(2-Acetylamino-hexanoylamino)-6-(3-guanidino-pr...)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
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+/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


Article DOI: 10.1021/jm010165y
BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160174
PNG
(US9040663, 20)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1S/C49H70F3N17O9/c1-26(70)63-33(10-5-21-60-47(55)56)41(73)66-35-16-17-39(71)59-20-4-9-32(40(54)72)64-46(78)38(24-28-25-62-31-8-3-2-7-30(28)31)69-42(74)34(11-6-22-61-48(57)58)65-45(77)37(68-44(76)36(18-19-53)67-43(35)75)23-27-12-14-29(15-13-27)49(50,51)52/h2-3,7-8,12-15,25,32-38,62H,4-6,9-11,16-24,53H2,1H3,(H2,54,72)(H,59,71)(H,63,70)(H,64,78)(H,65,77)(H,66,73)(H,67,75)(H,68,76)(H,69,74)(H4,55,56,60)(H4,57,58,61)/t32-,33-,34-,35-,36-,37+,38-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250674
PNG
(US9447148, 9.43)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CNC(=O)CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C51H70N16O10/c1-3-4-14-35(61-29(2)68)45(72)67-41-27-59-43(70)18-17-42(69)56-21-19-37(47(74)64-38(44(52)71)23-31-25-58-34-15-9-8-13-33(31)34)63-46(73)36(16-10-20-57-51(53)54)62-48(75)39(22-30-11-6-5-7-12-30)65-49(76)40(66-50(41)77)24-32-26-55-28-60-32/h5-9,11-13,15,25-26,28,35-41,58H,3-4,10,14,16-24,27H2,1-2H3,(H2,52,71)(H,55,60)(H,56,69)(H,59,70)(H,61,68)(H,62,75)(H,63,73)(H,64,74)(H,65,76)(H,66,77)(H,67,72)(H4,53,54,57)/t35-,36-,37-,38-,39+,40-,41-/m0/s1
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Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250638
PNG
(US9447148, 9.6)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C50H69N15O9/c1-3-4-15-35(59-29(2)66)44(69)62-38-19-20-42(67)55-21-10-17-37(46(71)63-39(43(51)68)24-31-26-57-34-16-9-8-14-33(31)34)60-45(70)36(18-11-22-56-50(52)53)61-48(73)40(23-30-12-6-5-7-13-30)64-49(74)41(65-47(38)72)25-32-27-54-28-58-32/h5-9,12-14,16,26-28,35-41,57H,3-4,10-11,15,17-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,70)(H,61,73)(H,62,69)(H,63,71)(H,64,74)(H,65,72)(H4,52,53,56)/t35-,36-,37-,38-,39-,40+,41-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160157
PNG
(US9040663, 3)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1S/C48H70ClN17O9/c1-26(67)60-33(10-5-21-57-47(52)53)41(70)63-35-16-17-39(68)56-20-4-9-32(40(51)69)61-46(75)38(24-28-25-59-31-8-3-2-7-30(28)31)66-42(71)34(11-6-22-58-48(54)55)62-45(74)37(23-27-12-14-29(49)15-13-27)65-44(73)36(18-19-50)64-43(35)72/h2-3,7-8,12-15,25,32-38,59H,4-6,9-11,16-24,50H2,1H3,(H2,51,69)(H,56,68)(H,60,67)(H,61,75)(H,62,74)(H,63,70)(H,64,72)(H,65,73)(H,66,71)(H4,52,53,57)(H4,54,55,58)/t32-,33-,34-,35-,36-,37+,38-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50389778
PNG
(CHEMBL2070251)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C93H145N29O20/c1-2-3-29-65(83(132)114-69-37-39-78(127)101-40-23-22-31-64(81(95)130)109-87(136)71(48-59-51-105-63-30-21-20-28-62(59)63)115-84(133)67(33-25-42-104-93(98)99)111-86(135)70(47-58-26-16-15-17-27-58)117-90(139)74-50-61(124)54-122(74)91(69)140)110-82(131)66(32-24-41-103-92(96)97)112-88(137)72(49-60-52-100-57-107-60)116-85(134)68(36-38-75(94)125)113-89(138)73(55-123)108-79(128)53-106-80(129)56-142-46-45-141-44-43-102-77(126)35-19-14-12-10-8-6-4-5-7-9-11-13-18-34-76-118-120-121-119-76/h15-17,20-21,26-28,30,51-52,57,61,64-74,105,123-124H,2-14,18-19,22-25,29,31-50,53-56H2,1H3,(H2,94,125)(H2,95,130)(H,100,107)(H,101,127)(H,102,126)(H,106,129)(H,108,128)(H,109,136)(H,110,131)(H,111,135)(H,112,137)(H,113,138)(H,114,132)(H,115,133)(H,116,134)(H,117,139)(H4,96,97,103)(H4,98,99,104)(H,118,119,120,121)/t61-,64+,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM160175
PNG
(US9040663, 21)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(C)cc2C)NC(=O)[C@H](CCN)NC1=O)C(N)=O
Show InChI InChI=1S/C50H75N17O9/c1-27-14-15-30(28(2)23-27)24-39-48(76)63-36(13-8-22-59-50(55)56)44(72)67-40(25-31-26-60-33-10-5-4-9-32(31)33)47(75)62-34(42(52)70)11-6-20-57-41(69)17-16-37(45(73)65-38(18-19-51)46(74)66-39)64-43(71)35(61-29(3)68)12-7-21-58-49(53)54/h4-5,9-10,14-15,23,26,34-40,60H,6-8,11-13,16-22,24-25,51H2,1-3H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,71)(H,65,73)(H,66,74)(H,67,72)(H4,53,54,58)(H4,55,56,59)/t34-,35-,36-,37-,38-,39+,40-/m0/s1
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AstraZeneca AB

US Patent


Assay Description
A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK...


US Patent US9040663 (2015)


BindingDB Entry DOI: 10.7270/Q29885SK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50165935
PNG
(Ac-YRMEHdFRWGSPPKD-NH2 | CHEMBL414718)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=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(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C84H119N25O21S/c1-46(111)97-60(37-48-23-25-51(112)26-24-48)77(125)99-55(19-10-31-92-83(87)88)72(120)102-58(29-35-131-2)76(124)101-57(27-28-68(114)115)75(123)107-63(39-50-42-91-45-96-50)79(127)105-61(36-47-14-4-3-5-15-47)78(126)100-56(20-11-32-93-84(89)90)74(122)106-62(38-49-41-94-53-17-7-6-16-52(49)53)71(119)95-43-67(113)98-64(44-110)81(129)109-34-13-22-66(109)82(130)108-33-12-21-65(108)80(128)103-54(18-8-9-30-85)73(121)104-59(70(86)118)40-69(116)117/h3-7,14-17,23-26,41-42,45,54-66,94,110,112H,8-13,18-22,27-40,43-44,85H2,1-2H3,(H2,86,118)(H,91,96)(H,95,119)(H,97,111)(H,98,113)(H,99,125)(H,100,126)(H,101,124)(H,102,120)(H,103,128)(H,104,121)(H,105,127)(H,106,122)(H,107,123)(H,114,115)(H,116,117)(H4,87,88,92)(H4,89,90,93)/t54-,55-,56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells


J Med Chem 48: 3095-8 (2005)


Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM250643
PNG
(US9447148, 9.11)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C51H68N14O9/c1-3-4-15-36(59-30(2)66)45(69)61-38-19-20-43(67)56-23-21-39(48(72)63-40(44(52)68)26-32-17-18-33-13-8-9-14-34(33)24-32)62-46(70)37(16-10-22-57-51(53)54)60-49(73)41(25-31-11-6-5-7-12-31)64-50(74)42(65-47(38)71)27-35-28-55-29-58-35/h5-9,11-14,17-18,24,28-29,36-42H,3-4,10,15-16,19-23,25-27H2,1-2H3,(H2,52,68)(H,55,58)(H,56,67)(H,59,66)(H,60,73)(H,61,69)(H,62,70)(H,63,72)(H,64,74)(H,65,71)(H4,53,54,57)/t36-,37-,38-,39-,40+,41+,42-/m0/s1
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0.0950n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50105880
PNG
(15-Acetylamino-6-(3-guanidino-propyl)-12-(3H-imida...)
Show SMILES CC(=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
Show InChI InChI=1S/C48H60N14O8/c1-27(63)57-40-23-41(64)53-17-7-6-13-35(42(49)65)58-45(68)38(21-31-24-55-34-12-5-4-11-33(31)34)61-43(66)36(14-8-18-54-48(50)51)59-44(67)37(20-28-15-16-29-9-2-3-10-30(29)19-28)60-46(69)39(62-47(40)70)22-32-25-52-26-56-32/h2-5,9-12,15-16,19,24-26,35-40,55H,6-8,13-14,17-18,20-23H2,1H3,(H2,49,65)(H,52,56)(H,53,64)(H,57,63)(H,58,68)(H,59,67)(H,60,69)(H,61,66)(H,62,70)(H4,50,51,54)/t35-,36+,37-,38-,39+,40+/m1/s1
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0.0960n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)


J Med Chem 44: 3665-72 (2001)


Article DOI: 10.1021/jm010165y
BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM250641
PNG
(US9447148, 9.9)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C51H68N14O9/c1-3-4-18-36(59-30(2)66)45(69)61-38-20-21-43(67)56-24-22-39(48(72)63-40(44(52)68)26-33-16-10-15-32-14-8-9-17-35(32)33)62-46(70)37(19-11-23-57-51(53)54)60-49(73)41(25-31-12-6-5-7-13-31)64-50(74)42(65-47(38)71)27-34-28-55-29-58-34/h5-10,12-17,28-29,36-42H,3-4,11,18-27H2,1-2H3,(H2,52,68)(H,55,58)(H,56,67)(H,59,66)(H,60,73)(H,61,69)(H,62,70)(H,63,72)(H,64,74)(H,65,71)(H4,53,54,57)/t36-,37-,38-,39-,40+,41+,42-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-...


US Patent US9447148 (2016)


BindingDB Entry DOI: 10.7270/Q2RJ4HD2
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50165931
PNG
(CHEMBL415165 | NDP-SYSMEHFRWGKPVG)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=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(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C90H127N25O26S/c1-47(2)74(87(139)100-43-73(125)126)113-86(138)68-21-13-31-114(68)88(140)59(18-9-10-29-91)102-70(120)42-99-76(128)62(36-50-40-98-55-17-8-7-16-53(50)55)108-77(129)56(19-11-30-97-90(94)95)103-80(132)60(34-48-14-5-4-6-15-48)106-82(134)63(37-51-41-96-46-101-51)109-78(130)57(26-27-71(121)122)104-79(131)58(28-33-142-3)105-83(135)65(44-116)111-81(133)61(35-49-22-24-52(118)25-23-49)107-84(136)66(45-117)112-85(137)67-20-12-32-115(67)89(141)64(39-72(123)124)110-75(127)54(92)38-69(93)119/h4-8,14-17,22-25,40-41,46-47,54,56-68,74,98,116-118H,9-13,18-21,26-39,42-45,91-92H2,1-3H3,(H2,93,119)(H,96,101)(H,99,128)(H,100,139)(H,102,120)(H,103,132)(H,104,131)(H,105,135)(H,106,134)(H,107,136)(H,108,129)(H,109,130)(H,110,127)(H,111,133)(H,112,137)(H,113,138)(H,121,122)(H,123,124)(H,125,126)(H4,94,95,97)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells


J Med Chem 48: 3095-8 (2005)


Article DOI: 10.1021/jm0501432
BindingDB Entry DOI: 10.7270/Q2251HQZ
More data for this
Ligand-Target Pair
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