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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50045779   
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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
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/a 1n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
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/a 2n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
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/a 2.30n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
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/a 4.20n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 6.5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
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n/an/a 37n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 70n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 100n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
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n/an/a 137n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 167n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 200n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
KEGG

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n/an/a 200n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
KEGG

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n/an/a 220n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 258n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 300n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
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n/an/a 447n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
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n/an/a 594n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
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n/an/a 636n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
KEGG

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n/an/a 1.35E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
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n/an/a>2.00E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
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n/an/a 4.54E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/an/an/a 4.11E+3n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at human MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
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
KEGG

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n/an/an/an/a 2.10n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
KEGG

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n/an/an/an/a 203n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
KEGG

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n/an/an/an/a 227n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/an/an/a 0.300n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/an/an/a 13n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
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n/an/an/an/a 0.300n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
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 5.70n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Antagonist activity at human MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
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n/an/an/an/a 55n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC3 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
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n/an/an/an/a 2.00E+3n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC3 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/an/an/a 2.44E+3n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC3 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50080874
PNG
(CHEMBL3421676)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H46N10O5/c1-23(51)46-33-20-28-27-13-6-8-15-30(27)47-34(28)22-50(39(33)55)35(18-24-10-3-2-4-11-24)38(54)48-31(16-9-17-44-40(42)43)37(53)49-32(36(41)52)19-25-21-45-29-14-7-5-12-26(25)29/h2-8,10-15,21,31-33,35,45,47H,9,16-20,22H2,1H3,(H2,41,52)(H,46,51)(H,48,54)(H,49,53)(H4,42,43,44)/t31-,32-,33-,35+/s2
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n/an/an/an/a 52n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC3 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
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 1n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080878
PNG
(CHEMBL3421680)
Show SMILES CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C34H42N12O5/c1-20(47)41-28-19-46-23(17-40-44-46)18-45(33(28)51)29(14-21-8-3-2-4-9-21)32(50)42-26(12-7-13-38-34(36)37)31(49)43-27(30(35)48)15-22-16-39-25-11-6-5-10-24(22)25/h2-6,8-11,16-17,26-29,39H,7,12-15,18-19H2,1H3,(H2,35,48)(H,41,47)(H,42,50)(H,43,49)(H4,36,37,38)/t26-,27-,28-,29+/s2
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n/an/an/an/a 750n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080877
PNG
(CHEMBL3421679)
Show SMILES CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
Show InChI InChI=1/C38H45N9O5/c1-23(48)44-32-19-25-12-5-6-13-26(25)22-47(37(32)52)33(18-24-10-3-2-4-11-24)36(51)45-30(16-9-17-42-38(40)41)35(50)46-31(34(39)49)20-27-21-43-29-15-8-7-14-28(27)29/h2-8,10-15,21,30-33,43H,9,16-20,22H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H4,40,41,42)/t30-,31-,32-,33+/s2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080876
PNG
(CHEMBL3421678)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45BrN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/an/an/a 700n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50080875
PNG
(CHEMBL3421677)
Show SMILES CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
Show InChI InChI=1/C40H45FN10O5/c1-22(52)47-33-19-28-27-8-3-5-10-30(27)48-34(28)21-51(39(33)56)35(17-23-12-14-25(41)15-13-23)38(55)49-31(11-6-16-45-40(43)44)37(54)50-32(36(42)53)18-24-20-46-29-9-4-2-7-26(24)29/h2-5,7-10,12-15,20,31-33,35,46,48H,6,11,16-19,21H2,1H3,(H2,42,53)(H,47,52)(H,49,55)(H,50,54)(H4,43,44,45)/t31-,32-,33-,35+/s2
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n/an/an/an/a 226n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
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 5.10n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Activity at human MC3 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter


ACS Med Chem Lett 6: 192-7 (2015)


Article DOI: 10.1021/ml500436s
BindingDB Entry DOI: 10.7270/Q24B330P
More data for this
Ligand-Target Pair