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Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'abdel-malek' and Initial = 'z'   
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


(Mus musculus)
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
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](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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 1.59n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50166122
PNG
((S)-5-Guanidino-2-{(R)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES CCCCCCCCCCCCCCCCCCN[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(N)=O
Show InChI InChI=1S/C50H77N11O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-55-44(33-39-35-54-36-58-39)48(64)61-45(31-37-24-18-17-19-25-37)49(65)59-42(28-23-30-56-50(52)53)47(63)60-43(46(51)62)32-38-34-57-41-27-21-20-26-40(38)41/h17-21,24-27,34-36,42-45,55,57H,2-16,22-23,28-33H2,1H3,(H2,51,62)(H,54,58)(H,59,65)(H,60,63)(H,61,64)(H4,52,53,56)/t42-,43-,44-,45+/m0/s1
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n/an/an/an/a 0.830n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50166123
PNG
(CHEMBL408600 | [(2S,5R,8R,11R,14S,17R)-1-(2-Acetyl...)
Show SMILES CCCCC(NC(C)=O)C(=O)N1[C@@H](CC(O)=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C1=O
Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-36(58-29(2)65)48(73)64-41(25-42(66)67)47(72)63-40(24-32-27-54-28-57-32)46(71)61-38(22-30-13-6-5-7-14-30)44(69)59-35(19-12-21-55-50(52)53)43(68)62-39(23-31-26-56-34-17-9-8-15-33(31)34)45(70)60-37(49(64)74)18-10-11-20-51/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,66,67)(H4,52,53,55)/t35-,36?,37-,38-,39+,40-,41+/m1/s1
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n/an/an/an/a 0.160n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50166124
PNG
((S)-2-{(R)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-pro...)
Show SMILES 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(N)=O
Show InChI InChI=1S/C32H41N11O4/c33-23(15-21-17-37-18-40-21)29(45)43-27(13-19-7-2-1-3-8-19)31(47)41-25(11-6-12-38-32(35)36)30(46)42-26(28(34)44)14-20-16-39-24-10-5-4-9-22(20)24/h1-5,7-10,16-18,23,25-27,39H,6,11-15,33H2,(H2,34,44)(H,37,40)(H,41,47)(H,42,46)(H,43,45)(H4,35,36,38)/t23-,25-,26-,27+/m0/s1
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n/an/an/an/a 67n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50166125
PNG
(CHEMBL191303 | Octanoic acid [(S)-1-((R)-1-{(S)-1-...)
Show SMILES CCCCCCCC(=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(N)=O
Show InChI InChI=1S/C40H55N11O5/c1-2-3-4-5-9-18-35(52)48-34(22-28-24-44-25-47-28)39(56)51-33(20-26-13-7-6-8-14-26)38(55)49-31(17-12-19-45-40(42)43)37(54)50-32(36(41)53)21-27-23-46-30-16-11-10-15-29(27)30/h6-8,10-11,13-16,23-25,31-34,46H,2-5,9,12,17-22H2,1H3,(H2,41,53)(H,44,47)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,42,43,45)/t31-,32-,33+,34-/m0/s1
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n/an/an/an/a 0.330n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50121900
PNG
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)
Show SMILES CCCC[C@H](NC(=O)C(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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n/an/an/an/a 0.140n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50166126
PNG
(CHEMBL265236 | Hexadecanoic acid [(S)-1-((R)-1-{(S...)
Show SMILES CCCCCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C48H71N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-43(60)56-42(30-36-32-52-33-55-36)47(64)59-41(28-34-21-15-14-16-22-34)46(63)57-39(25-20-27-53-48(50)51)45(62)58-40(44(49)61)29-35-31-54-38-24-19-18-23-37(35)38/h14-16,18-19,21-24,31-33,39-42,54H,2-13,17,20,25-30H2,1H3,(H2,49,61)(H,52,55)(H,56,60)(H,57,63)(H,58,62)(H,59,64)(H4,50,51,53)/t39-,40-,41+,42-/m0/s1
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n/an/an/an/a 26.6n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50166127
PNG
(CHEMBL194217 | Undecanoic acid [(S)-1-((R)-1-{(S)-...)
Show SMILES CCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C43H61N11O5/c1-2-3-4-5-6-7-8-12-21-38(55)51-37(25-31-27-47-28-50-31)42(59)54-36(23-29-16-10-9-11-17-29)41(58)52-34(20-15-22-48-43(45)46)40(57)53-35(39(44)56)24-30-26-49-33-19-14-13-18-32(30)33/h9-11,13-14,16-19,26-28,34-37,49H,2-8,12,15,20-25H2,1H3,(H2,44,56)(H,47,50)(H,51,55)(H,52,58)(H,53,57)(H,54,59)(H4,45,46,48)/t34-,35-,36+,37-/m0/s1
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n/an/an/an/a 102n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50166122
PNG
((S)-5-Guanidino-2-{(R)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES CCCCCCCCCCCCCCCCCCN[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(N)=O
Show InChI InChI=1S/C50H77N11O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-55-44(33-39-35-54-36-58-39)48(64)61-45(31-37-24-18-17-19-25-37)49(65)59-42(28-23-30-56-50(52)53)47(63)60-43(46(51)62)32-38-34-57-41-27-21-20-26-40(38)41/h17-21,24-27,34-36,42-45,55,57H,2-16,22-23,28-33H2,1H3,(H2,51,62)(H,54,58)(H,59,65)(H,60,63)(H,61,64)(H4,52,53,56)/t42-,43-,44-,45+/m0/s1
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n/an/an/an/a 2.43n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50166127
PNG
(CHEMBL194217 | Undecanoic acid [(S)-1-((R)-1-{(S)-...)
Show SMILES CCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C43H61N11O5/c1-2-3-4-5-6-7-8-12-21-38(55)51-37(25-31-27-47-28-50-31)42(59)54-36(23-29-16-10-9-11-17-29)41(58)52-34(20-15-22-48-43(45)46)40(57)53-35(39(44)56)24-30-26-49-33-19-14-13-18-32(30)33/h9-11,13-14,16-19,26-28,34-37,49H,2-8,12,15,20-25H2,1H3,(H2,44,56)(H,47,50)(H,51,55)(H,52,58)(H,53,57)(H,54,59)(H4,45,46,48)/t34-,35-,36+,37-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50166128
PNG
((S)-2-{(R)-2-[(S)-2-Dodecylamino-3-(3H-imidazol-4-...)
Show SMILES CCCCCCCCCCCCN[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(N)=O
Show InChI InChI=1S/C44H65N11O4/c1-2-3-4-5-6-7-8-9-10-16-23-49-38(27-33-29-48-30-52-33)42(58)55-39(25-31-18-12-11-13-19-31)43(59)53-36(22-17-24-50-44(46)47)41(57)54-37(40(45)56)26-32-28-51-35-21-15-14-20-34(32)35/h11-15,18-21,28-30,36-39,49,51H,2-10,16-17,22-27H2,1H3,(H2,45,56)(H,48,52)(H,53,59)(H,54,57)(H,55,58)(H4,46,47,50)/t36-,37-,38-,39+/m0/s1
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n/an/an/an/a 6.30n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50166129
PNG
(CHEMBL426282 | Decanoic acid [(S)-1-((R)-1-{(S)-1-...)
Show SMILES CCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C42H59N11O5/c1-2-3-4-5-6-7-11-20-37(54)50-36(24-30-26-46-27-49-30)41(58)53-35(22-28-15-9-8-10-16-28)40(57)51-33(19-14-21-47-42(44)45)39(56)52-34(38(43)55)23-29-25-48-32-18-13-12-17-31(29)32/h8-10,12-13,15-18,25-27,33-36,48H,2-7,11,14,19-24H2,1H3,(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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n/an/an/an/a 44.8n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50166129
PNG
(CHEMBL426282 | Decanoic acid [(S)-1-((R)-1-{(S)-1-...)
Show SMILES CCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C42H59N11O5/c1-2-3-4-5-6-7-11-20-37(54)50-36(24-30-26-46-27-49-30)41(58)53-35(22-28-15-9-8-10-16-28)40(57)51-33(19-14-21-47-42(44)45)39(56)52-34(38(43)55)23-29-25-48-32-18-13-12-17-31(29)32/h8-10,12-13,15-18,25-27,33-36,48H,2-7,11,14,19-24H2,1H3,(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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n/an/an/an/a 14.4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50166126
PNG
(CHEMBL265236 | Hexadecanoic acid [(S)-1-((R)-1-{(S...)
Show SMILES CCCCCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C48H71N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-43(60)56-42(30-36-32-52-33-55-36)47(64)59-41(28-34-21-15-14-16-22-34)46(63)57-39(25-20-27-53-48(50)51)45(62)58-40(44(49)61)29-35-31-54-38-24-19-18-23-37(35)38/h14-16,18-19,21-24,31-33,39-42,54H,2-13,17,20,25-30H2,1H3,(H2,49,61)(H,52,55)(H,56,60)(H,57,63)(H,58,62)(H,59,64)(H4,50,51,53)/t39-,40-,41+,42-/m0/s1
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n/an/an/an/a 0.990n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50121900
PNG
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)
Show SMILES CCCC[C@H](NC(=O)C(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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n/an/an/an/a 0.0320n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50166129
PNG
(CHEMBL426282 | Decanoic acid [(S)-1-((R)-1-{(S)-1-...)
Show SMILES CCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C42H59N11O5/c1-2-3-4-5-6-7-11-20-37(54)50-36(24-30-26-46-27-49-30)41(58)53-35(22-28-15-9-8-10-16-28)40(57)51-33(19-14-21-47-42(44)45)39(56)52-34(38(43)55)23-29-25-48-32-18-13-12-17-31(29)32/h8-10,12-13,15-18,25-27,33-36,48H,2-7,11,14,19-24H2,1H3,(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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n/an/an/an/a 3.34n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
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](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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 0.700n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50166126
PNG
(CHEMBL265236 | Hexadecanoic acid [(S)-1-((R)-1-{(S...)
Show SMILES CCCCCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C48H71N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-43(60)56-42(30-36-32-52-33-55-36)47(64)59-41(28-34-21-15-14-16-22-34)46(63)57-39(25-20-27-53-48(50)51)45(62)58-40(44(49)61)29-35-31-54-38-24-19-18-23-37(35)38/h14-16,18-19,21-24,31-33,39-42,54H,2-13,17,20,25-30H2,1H3,(H2,49,61)(H,52,55)(H,56,60)(H,57,63)(H,58,62)(H,59,64)(H4,50,51,53)/t39-,40-,41+,42-/m0/s1
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n/an/an/an/a 2.99n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50166128
PNG
((S)-2-{(R)-2-[(S)-2-Dodecylamino-3-(3H-imidazol-4-...)
Show SMILES CCCCCCCCCCCCN[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(N)=O
Show InChI InChI=1S/C44H65N11O4/c1-2-3-4-5-6-7-8-9-10-16-23-49-38(27-33-29-48-30-52-33)42(58)55-39(25-31-18-12-11-13-19-31)43(59)53-36(22-17-24-50-44(46)47)41(57)54-37(40(45)56)26-32-28-51-35-21-15-14-20-34(32)35/h11-15,18-21,28-30,36-39,49,51H,2-10,16-17,22-27H2,1H3,(H2,45,56)(H,48,52)(H,53,59)(H,54,57)(H,55,58)(H4,46,47,50)/t36-,37-,38-,39+/m0/s1
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n/an/an/an/a 3.07n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50166131
PNG
(CHEMBL191304 | Heptadecanoic acid [(S)-1-((R)-1-{(...)
Show SMILES CCCCCCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C49H73N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27-44(61)57-43(31-37-33-53-34-56-37)48(65)60-42(29-35-22-16-15-17-23-35)47(64)58-40(26-21-28-54-49(51)52)46(63)59-41(45(50)62)30-36-32-55-39-25-20-19-24-38(36)39/h15-17,19-20,22-25,32-34,40-43,55H,2-14,18,21,26-31H2,1H3,(H2,50,62)(H,53,56)(H,57,61)(H,58,64)(H,59,63)(H,60,65)(H4,51,52,54)/t40-,41-,42+,43-/m0/s1
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n/an/an/an/a 2.82n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50166128
PNG
((S)-2-{(R)-2-[(S)-2-Dodecylamino-3-(3H-imidazol-4-...)
Show SMILES CCCCCCCCCCCCN[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(N)=O
Show InChI InChI=1S/C44H65N11O4/c1-2-3-4-5-6-7-8-9-10-16-23-49-38(27-33-29-48-30-52-33)42(58)55-39(25-31-18-12-11-13-19-31)43(59)53-36(22-17-24-50-44(46)47)41(57)54-37(40(45)56)26-32-28-51-35-21-15-14-20-34(32)35/h11-15,18-21,28-30,36-39,49,51H,2-10,16-17,22-27H2,1H3,(H2,45,56)(H,48,52)(H,53,59)(H,54,57)(H,55,58)(H4,46,47,50)/t36-,37-,38-,39+/m0/s1
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n/an/an/an/a 23.4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50166123
PNG
(CHEMBL408600 | [(2S,5R,8R,11R,14S,17R)-1-(2-Acetyl...)
Show SMILES CCCCC(NC(C)=O)C(=O)N1[C@@H](CC(O)=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C1=O
Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-36(58-29(2)65)48(73)64-41(25-42(66)67)47(72)63-40(24-32-27-54-28-57-32)46(71)61-38(22-30-13-6-5-7-14-30)44(69)59-35(19-12-21-55-50(52)53)43(68)62-39(23-31-26-56-34-17-9-8-15-33(31)34)45(70)60-37(49(64)74)18-10-11-20-51/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,66,67)(H4,52,53,55)/t35-,36?,37-,38-,39+,40-,41+/m1/s1
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n/an/an/an/a 0.0600n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50166131
PNG
(CHEMBL191304 | Heptadecanoic acid [(S)-1-((R)-1-{(...)
Show SMILES CCCCCCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C49H73N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27-44(61)57-43(31-37-33-53-34-56-37)48(65)60-42(29-35-22-16-15-17-23-35)47(64)58-40(26-21-28-54-49(51)52)46(63)59-41(45(50)62)30-36-32-55-39-25-20-19-24-38(36)39/h15-17,19-20,22-25,32-34,40-43,55H,2-14,18,21,26-31H2,1H3,(H2,50,62)(H,53,56)(H,57,61)(H,58,64)(H,59,63)(H,60,65)(H4,51,52,54)/t40-,41-,42+,43-/m0/s1
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n/an/an/an/a 21.4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50166132
PNG
(CHEMBL370261 | Tetradecanoic acid [(S)-1-((R)-1-{(...)
Show SMILES CCCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C46H67N11O5/c1-2-3-4-5-6-7-8-9-10-11-15-24-41(58)54-40(28-34-30-50-31-53-34)45(62)57-39(26-32-19-13-12-14-20-32)44(61)55-37(23-18-25-51-46(48)49)43(60)56-38(42(47)59)27-33-29-52-36-22-17-16-21-35(33)36/h12-14,16-17,19-22,29-31,37-40,52H,2-11,15,18,23-28H2,1H3,(H2,47,59)(H,50,53)(H,54,58)(H,55,61)(H,56,60)(H,57,62)(H4,48,49,51)/t37-,38-,39+,40-/m0/s1
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n/an/an/an/a 10.5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50166127
PNG
(CHEMBL194217 | Undecanoic acid [(S)-1-((R)-1-{(S)-...)
Show SMILES CCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C43H61N11O5/c1-2-3-4-5-6-7-8-12-21-38(55)51-37(25-31-27-47-28-50-31)42(59)54-36(23-29-16-10-9-11-17-29)41(58)52-34(20-15-22-48-43(45)46)40(57)53-35(39(44)56)24-30-26-49-33-19-14-13-18-32(30)33/h9-11,13-14,16-19,26-28,34-37,49H,2-8,12,15,20-25H2,1H3,(H2,44,56)(H,47,50)(H,51,55)(H,52,58)(H,53,57)(H,54,59)(H4,45,46,48)/t34-,35-,36+,37-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=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(N)=O
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
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n/an/an/an/a 171n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50166133
PNG
(CHEMBL190366 | Tridecanoic acid [(S)-1-((R)-1-{(S)...)
Show SMILES CCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C45H65N11O5/c1-2-3-4-5-6-7-8-9-10-14-23-40(57)53-39(27-33-29-49-30-52-33)44(61)56-38(25-31-18-12-11-13-19-31)43(60)54-36(22-17-24-50-45(47)48)42(59)55-37(41(46)58)26-32-28-51-35-21-16-15-20-34(32)35/h11-13,15-16,18-21,28-30,36-39,51H,2-10,14,17,22-27H2,1H3,(H2,46,58)(H,49,52)(H,53,57)(H,54,60)(H,55,59)(H,56,61)(H4,47,48,50)/t36-,37-,38+,39-/m0/s1
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n/an/an/an/a 4.43n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50166134
PNG
(CHEMBL193151 | Pentadecanoic acid [(S)-1-((R)-1-{(...)
Show SMILES CCCCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C47H69N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-25-42(59)55-41(29-35-31-51-32-54-35)46(63)58-40(27-33-20-14-13-15-21-33)45(62)56-38(24-19-26-52-47(49)50)44(61)57-39(43(48)60)28-34-30-53-37-23-18-17-22-36(34)37/h13-15,17-18,20-23,30-32,38-41,53H,2-12,16,19,24-29H2,1H3,(H2,48,60)(H,51,54)(H,55,59)(H,56,62)(H,57,61)(H,58,63)(H4,49,50,52)/t38-,39-,40+,41-/m0/s1
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n/an/an/an/a 2.07n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50166129
PNG
(CHEMBL426282 | Decanoic acid [(S)-1-((R)-1-{(S)-1-...)
Show SMILES CCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C42H59N11O5/c1-2-3-4-5-6-7-11-20-37(54)50-36(24-30-26-46-27-49-30)41(58)53-35(22-28-15-9-8-10-16-28)40(57)51-33(19-14-21-47-42(44)45)39(56)52-34(38(43)55)23-29-25-48-32-18-13-12-17-31(29)32/h8-10,12-13,15-18,25-27,33-36,48H,2-7,11,14,19-24H2,1H3,(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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n/an/an/an/a 4.83n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50166132
PNG
(CHEMBL370261 | Tetradecanoic acid [(S)-1-((R)-1-{(...)
Show SMILES CCCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C46H67N11O5/c1-2-3-4-5-6-7-8-9-10-11-15-24-41(58)54-40(28-34-30-50-31-53-34)45(62)57-39(26-32-19-13-12-14-20-32)44(61)55-37(23-18-25-51-46(48)49)43(60)56-38(42(47)59)27-33-29-52-36-22-17-16-21-35(33)36/h12-14,16-17,19-22,29-31,37-40,52H,2-11,15,18,23-28H2,1H3,(H2,47,59)(H,50,53)(H,54,58)(H,55,61)(H,56,60)(H,57,62)(H4,48,49,51)/t37-,38-,39+,40-/m0/s1
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n/an/an/an/a 220n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50166133
PNG
(CHEMBL190366 | Tridecanoic acid [(S)-1-((R)-1-{(S)...)
Show SMILES CCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C45H65N11O5/c1-2-3-4-5-6-7-8-9-10-14-23-40(57)53-39(27-33-29-49-30-52-33)44(61)56-38(25-31-18-12-11-13-19-31)43(60)54-36(22-17-24-50-45(47)48)42(59)55-37(41(46)58)26-32-28-51-35-21-16-15-20-34(32)35/h11-13,15-16,18-21,28-30,36-39,51H,2-10,14,17,22-27H2,1H3,(H2,46,58)(H,49,52)(H,53,57)(H,54,60)(H,55,59)(H,56,61)(H4,47,48,50)/t36-,37-,38+,39-/m0/s1
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n/an/an/an/a 20.6n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50166131
PNG
(CHEMBL191304 | Heptadecanoic acid [(S)-1-((R)-1-{(...)
Show SMILES CCCCCCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C49H73N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27-44(61)57-43(31-37-33-53-34-56-37)48(65)60-42(29-35-22-16-15-17-23-35)47(64)58-40(26-21-28-54-49(51)52)46(63)59-41(45(50)62)30-36-32-55-39-25-20-19-24-38(36)39/h15-17,19-20,22-25,32-34,40-43,55H,2-14,18,21,26-31H2,1H3,(H2,50,62)(H,53,56)(H,57,61)(H,58,64)(H,59,63)(H,60,65)(H4,51,52,54)/t40-,41-,42+,43-/m0/s1
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n/an/an/an/a 266n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50166133
PNG
(CHEMBL190366 | Tridecanoic acid [(S)-1-((R)-1-{(S)...)
Show SMILES CCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C45H65N11O5/c1-2-3-4-5-6-7-8-9-10-14-23-40(57)53-39(27-33-29-49-30-52-33)44(61)56-38(25-31-18-12-11-13-19-31)43(60)54-36(22-17-24-50-45(47)48)42(59)55-37(41(46)58)26-32-28-51-35-21-16-15-20-34(32)35/h11-13,15-16,18-21,28-30,36-39,51H,2-10,14,17,22-27H2,1H3,(H2,46,58)(H,49,52)(H,53,57)(H,54,60)(H,55,59)(H,56,61)(H4,47,48,50)/t36-,37-,38+,39-/m0/s1
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n/an/an/an/a 0.940n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50121900
PNG
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)
Show SMILES CCCC[C@H](NC(=O)C(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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n/an/an/an/a 0.0780n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50166128
PNG
((S)-2-{(R)-2-[(S)-2-Dodecylamino-3-(3H-imidazol-4-...)
Show SMILES CCCCCCCCCCCCN[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(N)=O
Show InChI InChI=1S/C44H65N11O4/c1-2-3-4-5-6-7-8-9-10-16-23-49-38(27-33-29-48-30-52-33)42(58)55-39(25-31-18-12-11-13-19-31)43(59)53-36(22-17-24-50-44(46)47)41(57)54-37(40(45)56)26-32-28-51-35-21-15-14-20-34(32)35/h11-15,18-21,28-30,36-39,49,51H,2-10,16-17,22-27H2,1H3,(H2,45,56)(H,48,52)(H,53,59)(H,54,57)(H,55,58)(H4,46,47,50)/t36-,37-,38-,39+/m0/s1
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n/an/an/an/a 167n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50166125
PNG
(CHEMBL191303 | Octanoic acid [(S)-1-((R)-1-{(S)-1-...)
Show SMILES CCCCCCCC(=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(N)=O
Show InChI InChI=1S/C40H55N11O5/c1-2-3-4-5-9-18-35(52)48-34(22-28-24-44-25-47-28)39(56)51-33(20-26-13-7-6-8-14-26)38(55)49-31(17-12-19-45-40(42)43)37(54)50-32(36(41)53)21-27-23-46-30-16-11-10-15-29(27)30/h6-8,10-11,13-16,23-25,31-34,46H,2-5,9,12,17-22H2,1H3,(H2,41,53)(H,44,47)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,42,43,45)/t31-,32-,33+,34-/m0/s1
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n/an/an/an/a 9.29n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50166122
PNG
((S)-5-Guanidino-2-{(R)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES CCCCCCCCCCCCCCCCCCN[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(N)=O
Show InChI InChI=1S/C50H77N11O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-55-44(33-39-35-54-36-58-39)48(64)61-45(31-37-24-18-17-19-25-37)49(65)59-42(28-23-30-56-50(52)53)47(63)60-43(46(51)62)32-38-34-57-41-27-21-20-26-40(38)41/h17-21,24-27,34-36,42-45,55,57H,2-16,22-23,28-33H2,1H3,(H2,51,62)(H,54,58)(H,59,65)(H,60,63)(H,61,64)(H4,52,53,56)/t42-,43-,44-,45+/m0/s1
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n/an/an/an/a 13.4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50166134
PNG
(CHEMBL193151 | Pentadecanoic acid [(S)-1-((R)-1-{(...)
Show SMILES CCCCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C47H69N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-25-42(59)55-41(29-35-31-51-32-54-35)46(63)58-40(27-33-20-14-13-15-21-33)45(62)56-38(24-19-26-52-47(49)50)44(61)57-39(43(48)60)28-34-30-53-37-23-18-17-22-36(34)37/h13-15,17-18,20-23,30-32,38-41,53H,2-12,16,19,24-29H2,1H3,(H2,48,60)(H,51,54)(H,55,59)(H,56,62)(H,57,61)(H,58,63)(H4,49,50,52)/t38-,39-,40+,41-/m0/s1
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n/an/an/an/a 134n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=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(N)=O
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
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n/an/an/an/a 10.7n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
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](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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50166123
PNG
(CHEMBL408600 | [(2S,5R,8R,11R,14S,17R)-1-(2-Acetyl...)
Show SMILES CCCCC(NC(C)=O)C(=O)N1[C@@H](CC(O)=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C1=O
Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-36(58-29(2)65)48(73)64-41(25-42(66)67)47(72)63-40(24-32-27-54-28-57-32)46(71)61-38(22-30-13-6-5-7-14-30)44(69)59-35(19-12-21-55-50(52)53)43(68)62-39(23-31-26-56-34-17-9-8-15-33(31)34)45(70)60-37(49(64)74)18-10-11-20-51/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,66,67)(H4,52,53,55)/t35-,36?,37-,38-,39+,40-,41+/m1/s1
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n/an/an/an/a 0.210n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50034922
PNG
((S)-2-{(R)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-y...)
Show SMILES CC(=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(N)=O
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
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n/an/an/an/a 3.02n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
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](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/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a 0.530n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50166130
PNG
(CHEMBL195439 | Nonanoic acid [(S)-1-((R)-1-{(S)-1-...)
Show SMILES CCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C41H57N11O5/c1-2-3-4-5-6-10-19-36(53)49-35(23-29-25-45-26-48-29)40(57)52-34(21-27-14-8-7-9-15-27)39(56)50-32(18-13-20-46-41(43)44)38(55)51-33(37(42)54)22-28-24-47-31-17-12-11-16-30(28)31/h7-9,11-12,14-17,24-26,32-35,47H,2-6,10,13,18-23H2,1H3,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t32-,33-,34+,35-/m0/s1
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n/an/an/an/a 1.14n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50166124
PNG
((S)-2-{(R)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-pro...)
Show SMILES 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(N)=O
Show InChI InChI=1S/C32H41N11O4/c33-23(15-21-17-37-18-40-21)29(45)43-27(13-19-7-2-1-3-8-19)31(47)41-25(11-6-12-38-32(35)36)30(46)42-26(28(34)44)14-20-16-39-24-10-5-4-9-22(20)24/h1-5,7-10,16-18,23,25-27,39H,6,11-15,33H2,(H2,34,44)(H,37,40)(H,41,47)(H,42,46)(H,43,45)(H4,35,36,38)/t23-,25-,26-,27+/m0/s1
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n/an/an/an/a 18.5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 4 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50166122
PNG
((S)-5-Guanidino-2-{(R)-2-[(S)-3-(3H-imidazol-4-yl)...)
Show SMILES CCCCCCCCCCCCCCCCCCN[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(N)=O
Show InChI InChI=1S/C50H77N11O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-55-44(33-39-35-54-36-58-39)48(64)61-45(31-37-24-18-17-19-25-37)49(65)59-42(28-23-30-56-50(52)53)47(63)60-43(46(51)62)32-38-34-57-41-27-21-20-26-40(38)41/h17-21,24-27,34-36,42-45,55,57H,2-16,22-23,28-33H2,1H3,(H2,51,62)(H,54,58)(H,59,65)(H,60,63)(H,61,64)(H4,52,53,56)/t42-,43-,44-,45+/m0/s1
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n/an/an/an/a 277n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50166131
PNG
(CHEMBL191304 | Heptadecanoic acid [(S)-1-((R)-1-{(...)
Show SMILES CCCCCCCCCCCCCCCCC(=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(N)=O
Show InChI InChI=1S/C49H73N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27-44(61)57-43(31-37-33-53-34-56-37)48(65)60-42(29-35-22-16-15-17-23-35)47(64)58-40(26-21-28-54-49(51)52)46(63)59-41(45(50)62)30-36-32-55-39-25-20-19-24-38(36)39/h15-17,19-20,22-25,32-34,40-43,55H,2-14,18,21,26-31H2,1H3,(H2,50,62)(H,53,56)(H,57,61)(H,58,64)(H,59,63)(H,60,65)(H4,51,52,54)/t40-,41-,42+,43-/m0/s1
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n/an/an/an/a 0.720n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50166123
PNG
(CHEMBL408600 | [(2S,5R,8R,11R,14S,17R)-1-(2-Acetyl...)
Show SMILES CCCCC(NC(C)=O)C(=O)N1[C@@H](CC(O)=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C1=O
Show InChI InChI=1S/C50H68N14O10/c1-3-4-16-36(58-29(2)65)48(73)64-41(25-42(66)67)47(72)63-40(24-32-27-54-28-57-32)46(71)61-38(22-30-13-6-5-7-14-30)44(69)59-35(19-12-21-55-50(52)53)43(68)62-39(23-31-26-56-34-17-9-8-15-33(31)34)45(70)60-37(49(64)74)18-10-11-20-51/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,66,67)(H4,52,53,55)/t35-,36?,37-,38-,39+,40-,41+/m1/s1
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n/an/an/an/a 0.0400n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 1 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50121900
PNG
(Ac-Ser-Try-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-Pr...)
Show SMILES CCCC[C@H](NC(=O)C(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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n/an/an/an/a 0.0700n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 3 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50166124
PNG
((S)-2-{(R)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-pro...)
Show SMILES 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(N)=O
Show InChI InChI=1S/C32H41N11O4/c33-23(15-21-17-37-18-40-21)29(45)43-27(13-19-7-2-1-3-8-19)31(47)41-25(11-6-12-38-32(35)36)30(46)42-26(28(34)44)14-20-16-39-24-10-5-4-9-22(20)24/h1-5,7-10,16-18,23,25-27,39H,6,11-15,33H2,(H2,34,44)(H,37,40)(H,41,47)(H,42,46)(H,43,45)(H4,35,36,38)/t23-,25-,26-,27+/m0/s1
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n/an/an/an/a 2.78n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
In vitro agonist potency for Mouse Melanocortin 5 receptor


J Med Chem 48: 3328-36 (2005)


Article DOI: 10.1021/jm0490843
BindingDB Entry DOI: 10.7270/Q29K4C0B
More data for this
Ligand-Target Pair
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