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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'schoffelen' and Initial = 's'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250214
PNG
(CHEMBL4100598)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C49H66N18O9/c1-27(48(75)76)58-43(70)39-21-31-24-67(66-65-31)25-40(64-41(68)33(51)13-7-8-16-50)47(74)63-38(20-30-23-54-26-57-30)46(73)60-36(18-28-10-3-2-4-11-28)44(71)59-35(15-9-17-55-49(52)53)42(69)61-37(45(72)62-39)19-29-22-56-34-14-6-5-12-32(29)34/h2-6,10-12,14,22-24,26-27,33,35-40,56H,7-9,13,15-21,25,50-51H2,1H3,(H,54,57)(H,58,70)(H,59,71)(H,60,73)(H,61,69)(H,62,72)(H,63,74)(H,64,68)(H,75,76)(H4,52,53,55)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		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 24n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250212
PNG
(CHEMBL4089119)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(CCC[C@H](N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C47H62N16O8S/c1-72-18-15-35(46(70)71)56-44(68)39-22-30-25-63(62-61-30)17-8-12-32(48)40(64)57-38(21-29-24-51-26-54-29)45(69)58-36(19-27-9-3-2-4-10-27)42(66)55-34(14-7-16-52-47(49)50)41(65)59-37(43(67)60-39)20-28-23-53-33-13-6-5-11-31(28)33/h2-6,9-11,13,23-26,32,34-39,53H,7-8,12,14-22,48H2,1H3,(H,51,54)(H,55,66)(H,56,68)(H,57,64)(H,58,69)(H,59,65)(H,60,67)(H,70,71)(H4,49,50,52)/t32-,34-,35-,36+,37-,38-,39-/m0/s1
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n/an/an/an/a 185n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250213
PNG
(CHEMBL4104927)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N20O9S/c1-81-18-15-36(49(79)80)63-46(76)40-22-31-25-71(70-69-31)26-41(68-42(72)33(52)12-7-16-58-50(53)54)48(78)67-39(21-30-24-57-27-61-30)47(77)64-37(19-28-9-3-2-4-10-28)44(74)62-35(14-8-17-59-51(55)56)43(73)65-38(45(75)66-40)20-29-23-60-34-13-6-5-11-32(29)34/h2-6,9-11,13,23-25,27,33,35-41,60H,7-8,12,14-22,26,52H2,1H3,(H,57,61)(H,62,74)(H,63,76)(H,64,77)(H,65,73)(H,66,75)(H,67,78)(H,68,72)(H,79,80)(H4,53,54,58)(H4,55,56,59)/t33-,35-,36-,37+,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250211
PNG
(CHEMBL4100221)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C43H65N17O9S/c1-24-35(61)54-33(39(65)53-30(42(68)69)13-16-70-2)19-27-21-60(59-58-27)22-34(57-36(62)28(45)11-6-7-14-44)41(67)56-32(18-26-20-48-23-50-26)40(66)55-31(17-25-9-4-3-5-10-25)38(64)52-29(37(63)51-24)12-8-15-49-43(46)47/h3-5,9-10,20-21,23-24,28-34H,6-8,11-19,22,44-45H2,1-2H3,(H,48,50)(H,51,63)(H,52,64)(H,53,65)(H,54,61)(H,55,66)(H,56,67)(H,57,62)(H,68,69)(H4,46,47,49)/t24-,28-,29-,30-,31+,32-,33-,34-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		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 35n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250205
PNG
(CHEMBL4067491)
Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
Show InChI InChI=1S/C46H61N15O9S2/c1-24-39(64)57-34(17-28-19-52-31-13-8-7-12-30(28)31)43(68)60-36(38(47)63)21-71-72-22-37(61-41(66)32(56-26(3)62)14-9-15-51-46(48)49)45(70)55-25(2)40(65)58-35(18-29-20-50-23-53-29)44(69)59-33(42(67)54-24)16-27-10-5-4-6-11-27/h4-8,10-13,19-20,23-25,32-37,52H,9,14-18,21-22H2,1-3H3,(H2,47,63)(H,50,53)(H,54,67)(H,55,70)(H,56,62)(H,57,64)(H,58,65)(H,59,69)(H,60,68)(H,61,66)(H4,48,49,51)/t24-,25-,32-,33+,34-,35-,36-,37-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250206
PNG
(CHEMBL4060816)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N18O9S/c1-79-19-16-37(50(77)78)61-47(74)41-23-32-26-69(68-67-32)27-42(66-43(70)34(53)13-7-8-17-52)49(76)65-40(22-31-25-56-28-59-31)48(75)62-38(20-29-10-3-2-4-11-29)45(72)60-36(15-9-18-57-51(54)55)44(71)63-39(46(73)64-41)21-30-24-58-35-14-6-5-12-33(30)35/h2-6,10-12,14,24-26,28,34,36-42,58H,7-9,13,15-23,27,52-53H2,1H3,(H,56,59)(H,60,72)(H,61,74)(H,62,75)(H,63,71)(H,64,73)(H,65,76)(H,66,70)(H,77,78)(H4,54,55,57)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 9.20n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250207
PNG
(CHEMBL4082585)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3csc4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H69N17O9S2/c1-78-19-16-36(50(76)77)60-47(73)40-23-32-25-68(67-66-32)26-41(65-43(69)34(53)13-7-8-17-52)49(75)64-39(22-31-24-56-28-58-31)48(74)61-37(20-29-10-3-2-4-11-29)45(71)59-35(14-9-18-57-51(54)55)44(70)62-38(46(72)63-40)21-30-27-79-42-15-6-5-12-33(30)42/h2-6,10-12,15,24-25,27-28,34-41H,7-9,13-14,16-23,26,52-53H2,1H3,(H,56,58)(H,59,71)(H,60,73)(H,61,74)(H,62,70)(H,63,72)(H,64,75)(H,65,69)(H,76,77)(H4,54,55,57)/t34-,35-,36-,37+,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 64n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250208
PNG
(CHEMBL4062443)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N18O9S/c1-79-19-16-37(50(77)78)61-47(74)41-23-32-26-69(68-67-32)27-42(66-43(70)34(53)13-7-8-17-52)49(76)65-40(22-31-25-56-28-59-31)48(75)62-38(20-29-10-3-2-4-11-29)45(72)60-36(15-9-18-57-51(54)55)44(71)63-39(46(73)64-41)21-30-24-58-35-14-6-5-12-33(30)35/h2-6,10-12,14,24-26,28,34,36-42,58H,7-9,13,15-23,27,52-53H2,1H3,(H,56,59)(H,60,72)(H,61,74)(H,62,75)(H,63,71)(H,64,73)(H,65,76)(H,66,70)(H,77,78)(H4,54,55,57)/t34-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 792n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250209
PNG
(CHEMBL4090425)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N16O9S/c1-77-20-17-38(51(75)76)59-48(72)42-24-33-27-67(66-65-33)28-43(64-44(68)35(54)14-7-9-18-52)50(74)63-41(23-32-26-55-29-57-32)49(73)60-39(21-30-11-3-2-4-12-30)46(70)58-37(16-8-10-19-53)45(69)61-40(47(71)62-42)22-31-25-56-36-15-6-5-13-34(31)36/h2-6,11-13,15,25-27,29,35,37-43,56H,7-10,14,16-24,28,52-54H2,1H3,(H,55,57)(H,58,70)(H,59,72)(H,60,73)(H,61,69)(H,62,71)(H,63,74)(H,64,68)(H,75,76)/t35-,37-,38-,39+,40-,41-,42-,43-/m0/s1
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n/an/an/an/a 124n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250210
PNG
(CHEMBL4087072)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C50H68N16O9S/c1-76-19-16-37(50(74)75)58-47(71)41-23-32-26-66(65-64-32)27-42(63-43(67)34(53)13-7-8-17-51)49(73)62-40(22-31-25-54-28-56-31)48(72)59-38(20-29-10-3-2-4-11-29)45(69)57-36(15-9-18-52)44(68)60-39(46(70)61-41)21-30-24-55-35-14-6-5-12-33(30)35/h2-6,10-12,14,24-26,28,34,36-42,55H,7-9,13,15-23,27,51-53H2,1H3,(H,54,56)(H,57,69)(H,58,71)(H,59,72)(H,60,68)(H,61,70)(H,62,73)(H,63,67)(H,74,75)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1
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n/an/an/an/a 730n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50027084
PNG
(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|
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n/an/an/an/a 8.60n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250182
PNG
(CHEMBL4077331)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C48H63N15O9S/c1-27-41(64)56-37(19-29-22-52-34-14-7-6-12-32(29)34)44(67)58-39(45(68)55-35(48(71)72)15-17-73-2)21-31-24-63(62-61-31)25-40(60-42(65)33(50)13-8-9-16-49)47(70)59-38(20-30-23-51-26-53-30)46(69)57-36(43(66)54-27)18-28-10-4-3-5-11-28/h3-7,10-12,14,22-24,26-27,33,35-40,52H,8-9,13,15-21,25,49-50H2,1-2H3,(H,51,53)(H,54,66)(H,55,68)(H,56,64)(H,57,69)(H,58,67)(H,59,70)(H,60,65)(H,71,72)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1
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n/an/an/an/a 685n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250200
PNG
(CHEMBL4064777)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C48H68N16O9S/c1-27-40(65)58-36(21-28-11-4-3-5-12-28)43(68)56-34(16-10-19-53-48(51)52)42(67)59-37(22-29-24-54-33-15-7-6-13-31(29)33)44(69)60-38(45(70)57-35(47(72)73)17-20-74-2)23-30-25-64(63-62-30)26-39(46(71)55-27)61-41(66)32(50)14-8-9-18-49/h3-7,11-13,15,24-25,27,32,34-39,54H,8-10,14,16-23,26,49-50H2,1-2H3,(H,55,71)(H,56,68)(H,57,70)(H,58,65)(H,59,67)(H,60,69)(H,61,66)(H,72,73)(H4,51,52,53)/t27-,32-,34-,35-,36+,37-,38-,39-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250200
PNG
(CHEMBL4064777)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C48H68N16O9S/c1-27-40(65)58-36(21-28-11-4-3-5-12-28)43(68)56-34(16-10-19-53-48(51)52)42(67)59-37(22-29-24-54-33-15-7-6-13-31(29)33)44(69)60-38(45(70)57-35(47(72)73)17-20-74-2)23-30-25-64(63-62-30)26-39(46(71)55-27)61-41(66)32(50)14-8-9-18-49/h3-7,11-13,15,24-25,27,32,34-39,54H,8-10,14,16-23,26,49-50H2,1-2H3,(H,55,71)(H,56,68)(H,57,70)(H,58,65)(H,59,67)(H,60,69)(H,61,66)(H,72,73)(H4,51,52,53)/t27-,32-,34-,35-,36+,37-,38-,39-/m0/s1
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n/an/an/an/a 633n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250199
PNG
(CHEMBL4092477)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C45H66N18O9S/c1-24-37(64)55-31(11-7-14-51-45(48)49)39(66)57-33(16-25-19-52-30-10-4-3-8-28(25)30)41(68)58-35(42(69)56-32(44(71)72)12-15-73-2)18-27-21-63(62-61-27)22-36(60-38(65)29(47)9-5-6-13-46)43(70)59-34(40(67)54-24)17-26-20-50-23-53-26/h3-4,8,10,19-21,23-24,29,31-36,52H,5-7,9,11-18,22,46-47H2,1-2H3,(H,50,53)(H,54,67)(H,55,64)(H,56,69)(H,57,66)(H,58,68)(H,59,70)(H,60,65)(H,71,72)(H4,48,49,51)/t24-,29+,31+,32+,33+,34+,35+,36+/m1/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250182
PNG
(CHEMBL4077331)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C48H63N15O9S/c1-27-41(64)56-37(19-29-22-52-34-14-7-6-12-32(29)34)44(67)58-39(45(68)55-35(48(71)72)15-17-73-2)21-31-24-63(62-61-31)25-40(60-42(65)33(50)13-8-9-16-49)47(70)59-38(20-30-23-51-26-53-30)46(69)57-36(43(66)54-27)18-28-10-4-3-5-11-28/h3-7,10-12,14,22-24,26-27,33,35-40,52H,8-9,13,15-21,25,49-50H2,1-2H3,(H,51,53)(H,54,66)(H,55,68)(H,56,64)(H,57,69)(H,58,67)(H,59,70)(H,60,65)(H,71,72)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1
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CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250210
PNG
(CHEMBL4087072)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C50H68N16O9S/c1-76-19-16-37(50(74)75)58-47(71)41-23-32-26-66(65-64-32)27-42(63-43(67)34(53)13-7-8-17-51)49(73)62-40(22-31-25-54-28-56-31)48(72)59-38(20-29-10-3-2-4-11-29)45(69)57-36(15-9-18-52)44(68)60-39(46(70)61-41)21-30-24-55-35-14-6-5-12-33(30)35/h2-6,10-12,14,24-26,28,34,36-42,55H,7-9,13,15-23,27,51-53H2,1H3,(H,54,56)(H,57,69)(H,58,71)(H,59,72)(H,60,68)(H,61,70)(H,62,73)(H,63,67)(H,74,75)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1
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CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250201
PNG
(CHEMBL4070639)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C48H63N17O9S/c1-26(49)40(66)62-39-24-65-23-30(63-64-65)20-38(44(70)57-34(47(73)74)14-16-75-2)60-43(69)36(18-28-21-54-32-12-7-6-11-31(28)32)59-41(67)33(13-8-15-53-48(50)51)56-42(68)35(17-27-9-4-3-5-10-27)58-45(71)37(61-46(39)72)19-29-22-52-25-55-29/h3-7,9-12,21-23,25-26,33-39,54H,8,13-20,24,49H2,1-2H3,(H,52,55)(H,56,68)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,61,72)(H,62,66)(H,73,74)(H4,50,51,53)/t26-,33-,34-,35+,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250182
PNG
(CHEMBL4077331)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C48H63N15O9S/c1-27-41(64)56-37(19-29-22-52-34-14-7-6-12-32(29)34)44(67)58-39(45(68)55-35(48(71)72)15-17-73-2)21-31-24-63(62-61-31)25-40(60-42(65)33(50)13-8-9-16-49)47(70)59-38(20-30-23-51-26-53-30)46(69)57-36(43(66)54-27)18-28-10-4-3-5-11-28/h3-7,10-12,14,22-24,26-27,33,35-40,52H,8-9,13,15-21,25,49-50H2,1-2H3,(H,51,53)(H,54,66)(H,55,68)(H,56,64)(H,57,69)(H,58,67)(H,59,70)(H,60,65)(H,71,72)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1
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CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250199
PNG
(CHEMBL4092477)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C45H66N18O9S/c1-24-37(64)55-31(11-7-14-51-45(48)49)39(66)57-33(16-25-19-52-30-10-4-3-8-28(25)30)41(68)58-35(42(69)56-32(44(71)72)12-15-73-2)18-27-21-63(62-61-27)22-36(60-38(65)29(47)9-5-6-13-46)43(70)59-34(40(67)54-24)17-26-20-50-23-53-26/h3-4,8,10,19-21,23-24,29,31-36,52H,5-7,9,11-18,22,46-47H2,1-2H3,(H,50,53)(H,54,67)(H,55,64)(H,56,69)(H,57,66)(H,58,68)(H,59,70)(H,60,65)(H,71,72)(H4,48,49,51)/t24-,29+,31+,32+,33+,34+,35+,36+/m1/s1
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CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250200
PNG
(CHEMBL4064777)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C48H68N16O9S/c1-27-40(65)58-36(21-28-11-4-3-5-12-28)43(68)56-34(16-10-19-53-48(51)52)42(67)59-37(22-29-24-54-33-15-7-6-13-31(29)33)44(69)60-38(45(70)57-35(47(72)73)17-20-74-2)23-30-25-64(63-62-30)26-39(46(71)55-27)61-41(66)32(50)14-8-9-18-49/h3-7,11-13,15,24-25,27,32,34-39,54H,8-10,14,16-23,26,49-50H2,1-2H3,(H,55,71)(H,56,68)(H,57,70)(H,58,65)(H,59,67)(H,60,69)(H,61,66)(H,72,73)(H4,51,52,53)/t27-,32-,34-,35-,36+,37-,38-,39-/m0/s1
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n/an/an/an/a 375n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250201
PNG
(CHEMBL4070639)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C48H63N17O9S/c1-26(49)40(66)62-39-24-65-23-30(63-64-65)20-38(44(70)57-34(47(73)74)14-16-75-2)60-43(69)36(18-28-21-54-32-12-7-6-11-31(28)32)59-41(67)33(13-8-15-53-48(50)51)56-42(68)35(17-27-9-4-3-5-10-27)58-45(71)37(61-46(39)72)19-29-22-52-25-55-29/h3-7,9-12,21-23,25-26,33-39,54H,8,13-20,24,49H2,1-2H3,(H,52,55)(H,56,68)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,61,72)(H,62,66)(H,73,74)(H4,50,51,53)/t26-,33-,34-,35+,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 137n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250202
PNG
(CHEMBL4074680)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N18O9S/c1-79-19-16-37(50(77)78)61-47(74)41-23-32-26-69(68-67-32)27-42(66-43(70)34(53)13-7-8-17-52)49(76)63-39(21-30-24-58-35-14-6-5-12-33(30)35)46(73)62-38(20-29-10-3-2-4-11-29)45(72)60-36(15-9-18-57-51(54)55)44(71)64-40(48(75)65-41)22-31-25-56-28-59-31/h2-6,10-12,14,24-26,28,34,36-42,58H,7-9,13,15-23,27,52-53H2,1H3,(H,56,59)(H,60,72)(H,61,74)(H,62,73)(H,63,76)(H,64,71)(H,65,75)(H,66,70)(H,77,78)(H4,54,55,57)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250203
PNG
(CHEMBL4083755)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C53H71N17O9S/c1-80-21-18-39(52(78)79)62-49(75)43-26-36-28-70(69-68-36)29-44(67-45(71)37(55)14-7-8-19-54)51(77)66-42(25-35-27-58-30-60-35)50(76)64-40(23-31-10-3-2-4-11-31)47(73)61-38(15-9-20-59-53(56)57)46(72)63-41(48(74)65-43)24-32-16-17-33-12-5-6-13-34(33)22-32/h2-6,10-13,16-17,22,27-28,30,37-44H,7-9,14-15,18-21,23-26,29,54-55H2,1H3,(H,58,60)(H,61,73)(H,62,75)(H,63,72)(H,64,76)(H,65,74)(H,66,77)(H,67,71)(H,78,79)(H4,56,57,59)/t37-,38-,39-,40+,41-,42-,43-,44-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250204
PNG
(CHEMBL4060937)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(N)=N)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)N1)C(O)=O |r|
Show InChI InChI=1S/C48H64N18O8S/c1-75-18-15-34(46(73)74)59-43(70)38-22-30-25-66(65-64-30)39(14-8-17-55-48(51)52)45(72)63-37(21-29-24-53-26-57-29)44(71)60-35(19-27-9-3-2-4-10-27)41(68)58-33(13-7-16-54-47(49)50)40(67)61-36(42(69)62-38)20-28-23-56-32-12-6-5-11-31(28)32/h2-6,9-12,23-26,33-39,56H,7-8,13-22H2,1H3,(H,53,57)(H,58,68)(H,59,70)(H,60,71)(H,61,67)(H,62,69)(H,63,72)(H,73,74)(H4,49,50,54)(H4,51,52,55)/t33-,34-,35+,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 916n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
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 1.10n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250213
PNG
(CHEMBL4104927)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N20O9S/c1-81-18-15-36(49(79)80)63-46(76)40-22-31-25-71(70-69-31)26-41(68-42(72)33(52)12-7-16-58-50(53)54)48(78)67-39(21-30-24-57-27-61-30)47(77)64-37(19-28-9-3-2-4-10-28)44(74)62-35(14-8-17-59-51(55)56)43(73)65-38(45(75)66-40)20-29-23-60-34-13-6-5-11-32(29)34/h2-6,9-11,13,23-25,27,33,35-41,60H,7-8,12,14-22,26,52H2,1H3,(H,57,61)(H,62,74)(H,63,76)(H,64,77)(H,65,73)(H,66,75)(H,67,78)(H,68,72)(H,79,80)(H4,53,54,58)(H4,55,56,59)/t33-,35-,36-,37+,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 291n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250208
PNG
(CHEMBL4062443)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N18O9S/c1-79-19-16-37(50(77)78)61-47(74)41-23-32-26-69(68-67-32)27-42(66-43(70)34(53)13-7-8-17-52)49(76)65-40(22-31-25-56-28-59-31)48(75)62-38(20-29-10-3-2-4-11-29)45(72)60-36(15-9-18-57-51(54)55)44(71)63-39(46(73)64-41)21-30-24-58-35-14-6-5-12-33(30)35/h2-6,10-12,14,24-26,28,34,36-42,58H,7-9,13,15-23,27,52-53H2,1H3,(H,56,59)(H,60,72)(H,61,74)(H,62,75)(H,63,71)(H,64,73)(H,65,76)(H,66,70)(H,77,78)(H4,54,55,57)/t34-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250207
PNG
(CHEMBL4082585)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3csc4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H69N17O9S2/c1-78-19-16-36(50(76)77)60-47(73)40-23-32-25-68(67-66-32)26-41(65-43(69)34(53)13-7-8-17-52)49(75)64-39(22-31-24-56-28-58-31)48(74)61-37(20-29-10-3-2-4-11-29)45(71)59-35(14-9-18-57-51(54)55)44(70)62-38(46(72)63-40)21-30-27-79-42-15-6-5-12-33(30)42/h2-6,10-12,15,24-25,27-28,34-41H,7-9,13-14,16-23,26,52-53H2,1H3,(H,56,58)(H,59,71)(H,60,73)(H,61,74)(H,62,70)(H,63,72)(H,64,75)(H,65,69)(H,76,77)(H4,54,55,57)/t34-,35-,36-,37+,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 821n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250202
PNG
(CHEMBL4074680)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N18O9S/c1-79-19-16-37(50(77)78)61-47(74)41-23-32-26-69(68-67-32)27-42(66-43(70)34(53)13-7-8-17-52)49(76)63-39(21-30-24-58-35-14-6-5-12-33(30)35)46(73)62-38(20-29-10-3-2-4-11-29)45(72)60-36(15-9-18-57-51(54)55)44(71)64-40(48(75)65-41)22-31-25-56-28-59-31/h2-6,10-12,14,24-26,28,34,36-42,58H,7-9,13,15-23,27,52-53H2,1H3,(H,56,59)(H,60,72)(H,61,74)(H,62,73)(H,63,76)(H,64,71)(H,65,75)(H,66,70)(H,77,78)(H4,54,55,57)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250203
PNG
(CHEMBL4083755)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C53H71N17O9S/c1-80-21-18-39(52(78)79)62-49(75)43-26-36-28-70(69-68-36)29-44(67-45(71)37(55)14-7-8-19-54)51(77)66-42(25-35-27-58-30-60-35)50(76)64-40(23-31-10-3-2-4-11-31)47(73)61-38(15-9-20-59-53(56)57)46(72)63-41(48(74)65-43)24-32-16-17-33-12-5-6-13-34(33)22-32/h2-6,10-13,16-17,22,27-28,30,37-44H,7-9,14-15,18-21,23-26,29,54-55H2,1H3,(H,58,60)(H,61,73)(H,62,75)(H,63,72)(H,64,76)(H,65,74)(H,66,77)(H,67,71)(H,78,79)(H4,56,57,59)/t37-,38-,39-,40+,41-,42-,43-,44-/m0/s1
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n/an/an/an/a 89n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250212
PNG
(CHEMBL4089119)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(CCC[C@H](N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C47H62N16O8S/c1-72-18-15-35(46(70)71)56-44(68)39-22-30-25-63(62-61-30)17-8-12-32(48)40(64)57-38(21-29-24-51-26-54-29)45(69)58-36(19-27-9-3-2-4-10-27)42(66)55-34(14-7-16-52-47(49)50)41(65)59-37(43(67)60-39)20-28-23-53-33-13-6-5-11-31(28)33/h2-6,9-11,13,23-26,32,34-39,53H,7-8,12,14-22,48H2,1H3,(H,51,54)(H,55,66)(H,56,68)(H,57,64)(H,58,69)(H,59,65)(H,60,67)(H,70,71)(H4,49,50,52)/t32-,34-,35-,36+,37-,38-,39-/m0/s1
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n/an/an/an/a 720n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250214
PNG
(CHEMBL4100598)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C49H66N18O9/c1-27(48(75)76)58-43(70)39-21-31-24-67(66-65-31)25-40(64-41(68)33(51)13-7-8-16-50)47(74)63-38(20-30-23-54-26-57-30)46(73)60-36(18-28-10-3-2-4-11-28)44(71)59-35(15-9-17-55-49(52)53)42(69)61-37(45(72)62-39)19-29-22-56-34-14-6-5-12-32(29)34/h2-6,10-12,14,22-24,26-27,33,35-40,56H,7-9,13,15-21,25,50-51H2,1H3,(H,54,57)(H,58,70)(H,59,71)(H,60,73)(H,61,69)(H,62,72)(H,63,74)(H,64,68)(H,75,76)(H4,52,53,55)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1
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n/an/an/an/a 162n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250214
PNG
(CHEMBL4100598)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C49H66N18O9/c1-27(48(75)76)58-43(70)39-21-31-24-67(66-65-31)25-40(64-41(68)33(51)13-7-8-16-50)47(74)63-38(20-30-23-54-26-57-30)46(73)60-36(18-28-10-3-2-4-11-28)44(71)59-35(15-9-17-55-49(52)53)42(69)61-37(45(72)62-39)19-29-22-56-34-14-6-5-12-32(29)34/h2-6,10-12,14,22-24,26-27,33,35-40,56H,7-9,13,15-21,25,50-51H2,1H3,(H,54,57)(H,58,70)(H,59,71)(H,60,73)(H,61,69)(H,62,72)(H,63,74)(H,64,68)(H,75,76)(H4,52,53,55)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1
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n/an/an/an/a 635n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250207
PNG
(CHEMBL4082585)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3csc4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H69N17O9S2/c1-78-19-16-36(50(76)77)60-47(73)40-23-32-25-68(67-66-32)26-41(65-43(69)34(53)13-7-8-17-52)49(75)64-39(22-31-24-56-28-58-31)48(74)61-37(20-29-10-3-2-4-11-29)45(71)59-35(14-9-18-57-51(54)55)44(70)62-38(46(72)63-40)21-30-27-79-42-15-6-5-12-33(30)42/h2-6,10-12,15,24-25,27-28,34-41H,7-9,13-14,16-23,26,52-53H2,1H3,(H,56,58)(H,59,71)(H,60,73)(H,61,74)(H,62,70)(H,63,72)(H,64,75)(H,65,69)(H,76,77)(H4,54,55,57)/t34-,35-,36-,37+,38-,39-,40-,41-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250208
PNG
(CHEMBL4062443)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N18O9S/c1-79-19-16-37(50(77)78)61-47(74)41-23-32-26-69(68-67-32)27-42(66-43(70)34(53)13-7-8-17-52)49(76)65-40(22-31-25-56-28-59-31)48(75)62-38(20-29-10-3-2-4-11-29)45(72)60-36(15-9-18-57-51(54)55)44(71)63-39(46(73)64-41)21-30-24-58-35-14-6-5-12-33(30)35/h2-6,10-12,14,24-26,28,34,36-42,58H,7-9,13,15-23,27,52-53H2,1H3,(H,56,59)(H,60,72)(H,61,74)(H,62,75)(H,63,71)(H,64,73)(H,65,76)(H,66,70)(H,77,78)(H4,54,55,57)/t34-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50027084
PNG
(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|
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n/an/an/an/a 34n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		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 17n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250204
PNG
(CHEMBL4060937)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(N)=N)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)N1)C(O)=O |r|
Show InChI InChI=1S/C48H64N18O8S/c1-75-18-15-34(46(73)74)59-43(70)38-22-30-25-66(65-64-30)39(14-8-17-55-48(51)52)45(72)63-37(21-29-24-53-26-57-29)44(71)60-35(19-27-9-3-2-4-10-27)41(68)58-33(13-7-16-54-47(49)50)40(67)61-36(42(69)62-38)20-28-23-56-32-12-6-5-11-31(28)32/h2-6,9-12,23-26,33-39,56H,7-8,13-22H2,1H3,(H,53,57)(H,58,68)(H,59,70)(H,60,71)(H,61,67)(H,62,69)(H,63,72)(H,73,74)(H4,49,50,54)(H4,51,52,55)/t33-,34-,35+,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 160n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250212
PNG
(CHEMBL4089119)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(CCC[C@H](N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C47H62N16O8S/c1-72-18-15-35(46(70)71)56-44(68)39-22-30-25-63(62-61-30)17-8-12-32(48)40(64)57-38(21-29-24-51-26-54-29)45(69)58-36(19-27-9-3-2-4-10-27)42(66)55-34(14-7-16-52-47(49)50)41(65)59-37(43(67)60-39)20-28-23-53-33-13-6-5-11-31(28)33/h2-6,9-11,13,23-26,32,34-39,53H,7-8,12,14-22,48H2,1H3,(H,51,54)(H,55,66)(H,56,68)(H,57,64)(H,58,69)(H,59,65)(H,60,67)(H,70,71)(H4,49,50,52)/t32-,34-,35-,36+,37-,38-,39-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250202
PNG
(CHEMBL4074680)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N18O9S/c1-79-19-16-37(50(77)78)61-47(74)41-23-32-26-69(68-67-32)27-42(66-43(70)34(53)13-7-8-17-52)49(76)63-39(21-30-24-58-35-14-6-5-12-33(30)35)46(73)62-38(20-29-10-3-2-4-11-29)45(72)60-36(15-9-18-57-51(54)55)44(71)64-40(48(75)65-41)22-31-25-56-28-59-31/h2-6,10-12,14,24-26,28,34,36-42,58H,7-9,13,15-23,27,52-53H2,1H3,(H,56,59)(H,60,72)(H,61,74)(H,62,73)(H,63,76)(H,64,71)(H,65,75)(H,66,70)(H,77,78)(H4,54,55,57)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50250215
PNG
(CHEMBL4091536)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cn2cc(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCSC)C(O)=O)nn2)NC(=O)[C@@H](N)CCCCN |r|
Show InChI InChI=1S/C48H72N18O9S/c1-4-26(2)39-46(73)57-33(13-9-16-54-48(51)52)41(68)59-35(18-27-21-55-32-12-6-5-10-30(27)32)42(69)60-37(43(70)58-34(47(74)75)14-17-76-3)20-29-23-66(65-64-29)24-38(62-40(67)31(50)11-7-8-15-49)45(72)61-36(44(71)63-39)19-28-22-53-25-56-28/h5-6,10,12,21-23,25-26,31,33-39,55H,4,7-9,11,13-20,24,49-50H2,1-3H3,(H,53,56)(H,57,73)(H,58,70)(H,59,68)(H,60,69)(H,61,72)(H,62,67)(H,63,71)(H,74,75)(H4,51,52,54)/t26-,31+,33+,34+,35+,36+,37+,38+,39-/m1/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
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 0.400n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250201
PNG
(CHEMBL4070639)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C48H63N17O9S/c1-26(49)40(66)62-39-24-65-23-30(63-64-65)20-38(44(70)57-34(47(73)74)14-16-75-2)60-43(69)36(18-28-21-54-32-12-7-6-11-31(28)32)59-41(67)33(13-8-15-53-48(50)51)56-42(68)35(17-27-9-4-3-5-10-27)58-45(71)37(61-46(39)72)19-29-22-52-25-55-29/h3-7,9-12,21-23,25-26,33-39,54H,8,13-20,24,49H2,1-2H3,(H,52,55)(H,56,68)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,61,72)(H,62,66)(H,73,74)(H4,50,51,53)/t26-,33-,34-,35+,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250199
PNG
(CHEMBL4092477)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C45H66N18O9S/c1-24-37(64)55-31(11-7-14-51-45(48)49)39(66)57-33(16-25-19-52-30-10-4-3-8-28(25)30)41(68)58-35(42(69)56-32(44(71)72)12-15-73-2)18-27-21-63(62-61-27)22-36(60-38(65)29(47)9-5-6-13-46)43(70)59-34(40(67)54-24)17-26-20-50-23-53-26/h3-4,8,10,19-21,23-24,29,31-36,52H,5-7,9,11-18,22,46-47H2,1-2H3,(H,50,53)(H,54,67)(H,55,64)(H,56,69)(H,57,66)(H,58,68)(H,59,70)(H,60,65)(H,71,72)(H4,48,49,51)/t24-,29+,31+,32+,33+,34+,35+,36+/m1/s1
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n/an/an/an/a 112n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250213
PNG
(CHEMBL4104927)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N20O9S/c1-81-18-15-36(49(79)80)63-46(76)40-22-31-25-71(70-69-31)26-41(68-42(72)33(52)12-7-16-58-50(53)54)48(78)67-39(21-30-24-57-27-61-30)47(77)64-37(19-28-9-3-2-4-10-28)44(74)62-35(14-8-17-59-51(55)56)43(73)65-38(45(75)66-40)20-29-23-60-34-13-6-5-11-32(29)34/h2-6,9-11,13,23-25,27,33,35-41,60H,7-8,12,14-22,26,52H2,1H3,(H,57,61)(H,62,74)(H,63,76)(H,64,77)(H,65,73)(H,66,75)(H,67,78)(H,68,72)(H,79,80)(H4,53,54,58)(H4,55,56,59)/t33-,35-,36-,37+,38-,39-,40-,41-/m0/s1
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n/an/an/an/a 752n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250210
PNG
(CHEMBL4087072)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C50H68N16O9S/c1-76-19-16-37(50(74)75)58-47(71)41-23-32-26-66(65-64-32)27-42(63-43(67)34(53)13-7-8-17-51)49(73)62-40(22-31-25-54-28-56-31)48(72)59-38(20-29-10-3-2-4-11-29)45(69)57-36(15-9-18-52)44(68)60-39(46(70)61-41)21-30-24-55-35-14-6-5-12-33(30)35/h2-6,10-12,14,24-26,28,34,36-42,55H,7-9,13,15-23,27,51-53H2,1H3,(H,54,56)(H,57,69)(H,58,71)(H,59,72)(H,60,68)(H,61,70)(H,62,73)(H,63,67)(H,74,75)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50250205
PNG
(CHEMBL4067491)
Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r|
Show InChI InChI=1S/C46H61N15O9S2/c1-24-39(64)57-34(17-28-19-52-31-13-8-7-12-30(28)31)43(68)60-36(38(47)63)21-71-72-22-37(61-41(66)32(56-26(3)62)14-9-15-51-46(48)49)45(70)55-25(2)40(65)58-35(18-29-20-50-23-53-29)44(69)59-33(42(67)54-24)16-27-10-5-4-6-11-27/h4-8,10-13,19-20,23-25,32-37,52H,9,14-18,21-22H2,1-3H3,(H2,47,63)(H,50,53)(H,54,67)(H,55,70)(H,56,62)(H,57,64)(H,58,65)(H,59,69)(H,60,68)(H,61,66)(H4,48,49,51)/t24-,25-,32-,33+,34-,35-,36-,37-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair
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