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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'todorovic' and Initial = 'a'   
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)
BDBM50080577
PNG
(CHEMBL3422433)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34+,35+,36-/s2
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<6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


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


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


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


(Mus musculus)
BDBM50080578
PNG
(CHEMBL3422432)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34-,35+,36-/s2
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<6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


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


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50080576
PNG
(CHEMBL3422426)
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](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/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-/s2
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n/an/an/an/a 3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50027084
PNG
(MELATONAN | Melatonan)
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](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/an/an/a 0.350n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50080577
PNG
(CHEMBL3422433)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34+,35+,36-/s2
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n/an/an/an/a 1.97E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50080578
PNG
(CHEMBL3422432)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34-,35+,36-/s2
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n/an/an/an/a 2.03E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50080579
PNG
(CHEMBL3422431)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C37H44IN9O5/c1-22(48)44-32(20-25-21-43-28-11-6-5-10-27(25)28)36(52)47-31(19-24-13-15-26(38)16-14-24)35(51)45-29(12-7-17-42-37(40)41)34(50)46-30(33(39)49)18-23-8-3-2-4-9-23/h2-6,8-11,13-16,21,29-32,43H,7,12,17-20H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,40,41,42)/t29-,30-,31+,32-/s2
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50080580
PNG
(CHEMBL3422430)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1/C38H44IN9O5/c1-22(49)45-32(18-26-20-44-29-10-5-4-9-28(26)29)36(52)47-31(17-23-12-14-27(39)15-13-23)35(51)46-30(11-6-16-43-38(41)42)37(53)48-21-25-8-3-2-7-24(25)19-33(48)34(40)50/h2-5,7-10,12-15,20,30-33,44H,6,11,16-19,21H2,1H3,(H2,40,50)(H,45,49)(H,46,51)(H,47,52)(H4,41,42,43)/t30-,31+,32-,33-/s2
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n/an/an/an/a 5.30E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50080581
PNG
(CHEMBL3422429)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r|
Show InChI InChI=1/C39H44IN9O5S/c1-22(50)46-33(18-24-20-45-29-9-4-2-7-27(24)29)38(54)49-32(17-23-12-14-26(40)15-13-23)37(53)47-30(10-6-16-44-39(42)43)36(52)48-31(35(41)51)19-25-21-55-34-11-5-3-8-28(25)34/h2-5,7-9,11-15,20-21,30-33,45H,6,10,16-19H2,1H3,(H2,41,51)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,42,43,44)/t30-,31-,32+,33-/s2
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n/an/an/an/a 2.37E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50080582
PNG
(CHEMBL3422428)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1/C43H48IN9O5/c1-26(54)50-38(24-31-25-49-34-11-6-5-10-33(31)34)42(58)53-37(23-28-15-19-32(44)20-16-28)41(57)51-35(12-7-21-48-43(46)47)40(56)52-36(39(45)55)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,25,35-38,49H,7,12,21-24H2,1H3,(H2,45,55)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,46,47,48)/t35-,36-,37+,38-/s2
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n/an/an/an/a 7.80E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50080583
PNG
(CHEMBL3422427)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C39H45IN10O5/c1-22(51)47-34(19-25-21-46-30-10-5-3-8-28(25)30)38(55)50-33(17-23-12-14-26(40)15-13-23)37(54)48-31(11-6-16-44-39(42)43)36(53)49-32(35(41)52)18-24-20-45-29-9-4-2-7-27(24)29/h2-5,7-10,12-15,20-21,31-34,45-46H,6,11,16-19H2,1H3,(H2,41,52)(H,47,51)(H,48,54)(H,49,53)(H,50,55)(H4,42,43,44)/t31-,32-,33+,34-/s2
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n/an/an/an/a 2.80E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 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 |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
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 4.60n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50080576
PNG
(CHEMBL3422426)
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](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/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-/s2
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n/an/an/an/a 2.40n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50027084
PNG
(MELATONAN | Melatonan)
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](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/an/an/a 0.570n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50080577
PNG
(CHEMBL3422433)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34+,35+,36-/s2
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n/an/an/an/a 5.80E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50080578
PNG
(CHEMBL3422432)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34-,35+,36-/s2
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n/an/an/an/a 5.50E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50080579
PNG
(CHEMBL3422431)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C37H44IN9O5/c1-22(48)44-32(20-25-21-43-28-11-6-5-10-27(25)28)36(52)47-31(19-24-13-15-26(38)16-14-24)35(51)45-29(12-7-17-42-37(40)41)34(50)46-30(33(39)49)18-23-8-3-2-4-9-23/h2-6,8-11,13-16,21,29-32,43H,7,12,17-20H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,40,41,42)/t29-,30-,31+,32-/s2
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n/an/an/an/a 6.50E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50080580
PNG
(CHEMBL3422430)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1/C38H44IN9O5/c1-22(49)45-32(18-26-20-44-29-10-5-4-9-28(26)29)36(52)47-31(17-23-12-14-27(39)15-13-23)35(51)46-30(11-6-16-43-38(41)42)37(53)48-21-25-8-3-2-7-24(25)19-33(48)34(40)50/h2-5,7-10,12-15,20,30-33,44H,6,11,16-19,21H2,1H3,(H2,40,50)(H,45,49)(H,46,51)(H,47,52)(H4,41,42,43)/t30-,31+,32-,33-/s2
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n/an/an/an/a 2.70E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50080581
PNG
(CHEMBL3422429)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r|
Show InChI InChI=1/C39H44IN9O5S/c1-22(50)46-33(18-24-20-45-29-9-4-2-7-27(24)29)38(54)49-32(17-23-12-14-26(40)15-13-23)37(53)47-30(10-6-16-44-39(42)43)36(52)48-31(35(41)51)19-25-21-55-34-11-5-3-8-28(25)34/h2-5,7-9,11-15,20-21,30-33,45H,6,10,16-19H2,1H3,(H2,41,51)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,42,43,44)/t30-,31-,32+,33-/s2
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n/an/an/an/a 8.30E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50080582
PNG
(CHEMBL3422428)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1/C43H48IN9O5/c1-26(54)50-38(24-31-25-49-34-11-6-5-10-33(31)34)42(58)53-37(23-28-15-19-32(44)20-16-28)41(57)51-35(12-7-21-48-43(46)47)40(56)52-36(39(45)55)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,25,35-38,49H,7,12,21-24H2,1H3,(H2,45,55)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,46,47,48)/t35-,36-,37+,38-/s2
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n/an/an/an/a 2.07E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50080583
PNG
(CHEMBL3422427)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C39H45IN10O5/c1-22(51)47-34(19-25-21-46-30-10-5-3-8-28(25)30)38(55)50-33(17-23-12-14-26(40)15-13-23)37(54)48-31(11-6-16-44-39(42)43)36(53)49-32(35(41)52)18-24-20-45-29-9-4-2-7-27(24)29/h2-5,7-10,12-15,20-21,31-34,45-46H,6,11,16-19H2,1H3,(H2,41,52)(H,47,51)(H,48,54)(H,49,53)(H,50,55)(H4,42,43,44)/t31-,32-,33+,34-/s2
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(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 |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
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 71n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50080576
PNG
(CHEMBL3422426)
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](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/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-/s2
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n/an/an/an/a 0.670n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50027084
PNG
(MELATONAN | Melatonan)
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](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/an/an/a 0.220n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 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 |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
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 64n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50080583
PNG
(CHEMBL3422427)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C39H45IN10O5/c1-22(51)47-34(19-25-21-46-30-10-5-3-8-28(25)30)38(55)50-33(17-23-12-14-26(40)15-13-23)37(54)48-31(11-6-16-44-39(42)43)36(53)49-32(35(41)52)18-24-20-45-29-9-4-2-7-27(24)29/h2-5,7-10,12-15,20-21,31-34,45-46H,6,11,16-19H2,1H3,(H2,41,52)(H,47,51)(H,48,54)(H,49,53)(H,50,55)(H4,42,43,44)/t31-,32-,33+,34-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50080582
PNG
(CHEMBL3422428)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1/C43H48IN9O5/c1-26(54)50-38(24-31-25-49-34-11-6-5-10-33(31)34)42(58)53-37(23-28-15-19-32(44)20-16-28)41(57)51-35(12-7-21-48-43(46)47)40(56)52-36(39(45)55)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,25,35-38,49H,7,12,21-24H2,1H3,(H2,45,55)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,46,47,48)/t35-,36-,37+,38-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50080581
PNG
(CHEMBL3422429)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r|
Show InChI InChI=1/C39H44IN9O5S/c1-22(50)46-33(18-24-20-45-29-9-4-2-7-27(24)29)38(54)49-32(17-23-12-14-26(40)15-13-23)37(53)47-30(10-6-16-44-39(42)43)36(52)48-31(35(41)51)19-25-21-55-34-11-5-3-8-28(25)34/h2-5,7-9,11-15,20-21,30-33,45H,6,10,16-19H2,1H3,(H2,41,51)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,42,43,44)/t30-,31-,32+,33-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50080578
PNG
(CHEMBL3422432)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34-,35+,36-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50080577
PNG
(CHEMBL3422433)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34+,35+,36-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


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


(Mus musculus)
BDBM50027084
PNG
(MELATONAN | Melatonan)
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](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/an/an/a 0.0500n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


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


(Mus musculus)
BDBM50080576
PNG
(CHEMBL3422426)
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](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1/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-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


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


(Mus musculus)
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 |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
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 5.40n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


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


(Mus musculus)
BDBM50080583
PNG
(CHEMBL3422427)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C39H45IN10O5/c1-22(51)47-34(19-25-21-46-30-10-5-3-8-28(25)30)38(55)50-33(17-23-12-14-26(40)15-13-23)37(54)48-31(11-6-16-44-39(42)43)36(53)49-32(35(41)52)18-24-20-45-29-9-4-2-7-27(24)29/h2-5,7-10,12-15,20-21,31-34,45-46H,6,11,16-19H2,1H3,(H2,41,52)(H,47,51)(H,48,54)(H,49,53)(H,50,55)(H4,42,43,44)/t31-,32-,33+,34-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


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


(Mus musculus)
BDBM50080582
PNG
(CHEMBL3422428)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
Show InChI InChI=1/C43H48IN9O5/c1-26(54)50-38(24-31-25-49-34-11-6-5-10-33(31)34)42(58)53-37(23-28-15-19-32(44)20-16-28)41(57)51-35(12-7-21-48-43(46)47)40(56)52-36(39(45)55)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,25,35-38,49H,7,12,21-24H2,1H3,(H2,45,55)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,46,47,48)/t35-,36-,37+,38-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


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


(Mus musculus)
BDBM50080581
PNG
(CHEMBL3422429)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r|
Show InChI InChI=1/C39H44IN9O5S/c1-22(50)46-33(18-24-20-45-29-9-4-2-7-27(24)29)38(54)49-32(17-23-12-14-26(40)15-13-23)37(53)47-30(10-6-16-44-39(42)43)36(52)48-31(35(41)51)19-25-21-55-34-11-5-3-8-28(25)34/h2-5,7-9,11-15,20-21,30-33,45H,6,10,16-19H2,1H3,(H2,41,51)(H,46,50)(H,47,53)(H,48,52)(H,49,54)(H4,42,43,44)/t30-,31-,32+,33-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


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


(Mus musculus)
BDBM50080578
PNG
(CHEMBL3422432)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34-,35+,36-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


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


(Mus musculus)
BDBM50080577
PNG
(CHEMBL3422433)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34+,35+,36-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


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


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


(Mus musculus)
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
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