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Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'zappavigna' 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))
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/a 1.10n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453125
PNG
(CHEMBL4214826)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C47H57N13O7/c48-40(62)34-15-16-39(61)60-47(17-5-6-18-47)45(67)59-38(23-31-25-51-26-54-31)44(66)57-36(21-27-13-14-28-8-1-2-9-29(28)20-27)42(64)56-35(12-7-19-52-46(49)50)41(63)58-37(43(65)55-34)22-30-24-53-33-11-4-3-10-32(30)33/h1-4,8-11,13-14,20,24-26,34-38,53H,5-7,12,15-19,21-23H2,(H2,48,62)(H,51,54)(H,55,65)(H,56,64)(H,57,66)(H,58,63)(H,59,67)(H,60,61)(H4,49,50,52)/t34-,35-,36+,37-,38-/m0/s1
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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
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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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(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/a 1.20n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453133
PNG
(CHEMBL4211275)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C46H55N13O7/c47-39(61)33-14-15-38(60)59-46(16-6-17-46)44(66)58-37(22-30-24-50-25-53-30)43(65)56-35(20-26-12-13-27-7-1-2-8-28(27)19-26)41(63)55-34(11-5-18-51-45(48)49)40(62)57-36(42(64)54-33)21-29-23-52-32-10-4-3-9-31(29)32/h1-4,7-10,12-13,19,23-25,33-37,52H,5-6,11,14-18,20-22H2,(H2,47,61)(H,50,53)(H,54,64)(H,55,63)(H,56,65)(H,57,62)(H,58,66)(H,59,60)(H4,48,49,51)/t33-,34-,35+,36-,37-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453126
PNG
(CHEMBL4208874)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C47H57N13O7/c48-40(62)35-23-39(61)60-47(16-6-1-7-17-47)45(67)59-38(22-31-25-51-26-54-31)44(66)57-36(20-27-14-15-28-9-2-3-10-29(28)19-27)42(64)55-34(13-8-18-52-46(49)50)41(63)58-37(43(65)56-35)21-30-24-53-33-12-5-4-11-32(30)33/h2-5,9-12,14-15,19,24-26,34-38,53H,1,6-8,13,16-18,20-23H2,(H2,48,62)(H,51,54)(H,55,64)(H,56,65)(H,57,66)(H,58,63)(H,59,67)(H,60,61)(H4,49,50,52)/t34-,35-,36+,37-,38-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453137
PNG
(CHEMBL4217528)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C48H59N13O7/c49-41(63)35-16-17-40(62)61-48(18-6-1-7-19-48)46(68)60-39(24-32-26-52-27-55-32)45(67)58-37(22-28-14-15-29-9-2-3-10-30(29)21-28)43(65)57-36(13-8-20-53-47(50)51)42(64)59-38(44(66)56-35)23-31-25-54-34-12-5-4-11-33(31)34/h2-5,9-12,14-15,21,25-27,35-39,54H,1,6-8,13,16-20,22-24H2,(H2,49,63)(H,52,55)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,60,68)(H,61,62)(H4,50,51,53)/t35-,36-,37+,38-,39-/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453138
PNG
(CHEMBL4212209)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C45H53N13O7/c46-38(60)33-21-37(59)58-45(14-6-15-45)43(65)57-36(20-29-23-49-24-52-29)42(64)55-34(18-25-12-13-26-7-1-2-8-27(26)17-25)40(62)53-32(11-5-16-50-44(47)48)39(61)56-35(41(63)54-33)19-28-22-51-31-10-4-3-9-30(28)31/h1-4,7-10,12-13,17,22-24,32-36,51H,5-6,11,14-16,18-21H2,(H2,46,60)(H,49,52)(H,53,62)(H,54,63)(H,55,64)(H,56,61)(H,57,65)(H,58,59)(H4,47,48,50)/t32-,33-,34+,35-,36-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453132
PNG
(CHEMBL4207725)
Show SMILES CC1(C)NC(=O)C[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](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C40H51N13O7/c1-40(2)38(60)52-31(17-24-20-44-21-47-24)37(59)50-29(15-22-9-4-3-5-10-22)35(57)48-27(13-8-14-45-39(42)43)34(56)51-30(16-23-19-46-26-12-7-6-11-25(23)26)36(58)49-28(33(41)55)18-32(54)53-40/h3-7,9-12,19-21,27-31,46H,8,13-18H2,1-2H3,(H2,41,55)(H,44,47)(H,48,57)(H,49,58)(H,50,59)(H,51,56)(H,52,60)(H,53,54)(H4,42,43,45)/t27-,28-,29+,30-,31-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(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/a 7.5n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453135
PNG
(CHEMBL4204975)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C42H53N13O7/c43-35(57)30-20-34(56)55-42(14-6-7-15-42)40(62)54-33(19-26-22-46-23-49-26)39(61)52-31(17-24-9-2-1-3-10-24)37(59)50-29(13-8-16-47-41(44)45)36(58)53-32(38(60)51-30)18-25-21-48-28-12-5-4-11-27(25)28/h1-5,9-12,21-23,29-33,48H,6-8,13-20H2,(H2,43,57)(H,46,49)(H,50,59)(H,51,60)(H,52,61)(H,53,58)(H,54,62)(H,55,56)(H4,44,45,47)/t29-,30-,31+,32-,33-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453130
PNG
(CHEMBL4206406)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H55N13O7/c44-36(58)31-21-35(57)56-43(15-7-2-8-16-43)41(63)55-34(20-27-23-47-24-50-27)40(62)53-32(18-25-10-3-1-4-11-25)38(60)51-30(14-9-17-48-42(45)46)37(59)54-33(39(61)52-31)19-26-22-49-29-13-6-5-12-28(26)29/h1,3-6,10-13,22-24,30-34,49H,2,7-9,14-21H2,(H2,44,58)(H,47,50)(H,51,60)(H,52,61)(H,53,62)(H,54,59)(H,55,63)(H,56,57)(H4,45,46,48)/t30-,31-,32+,33-,34-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50453128
PNG
(CHEMBL4207858)
Show SMILES CC1(C)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C45H55N13O7/c1-45(2)43(65)57-36(21-29-23-49-24-52-29)42(64)55-34(19-25-13-14-26-8-3-4-9-27(26)18-25)40(62)54-33(12-7-17-50-44(47)48)39(61)56-35(20-28-22-51-31-11-6-5-10-30(28)31)41(63)53-32(38(46)60)15-16-37(59)58-45/h3-6,8-11,13-14,18,22-24,32-36,51H,7,12,15-17,19-21H2,1-2H3,(H2,46,60)(H,49,52)(H,53,63)(H,54,62)(H,55,64)(H,56,61)(H,57,65)(H,58,59)(H4,47,48,50)/t32-,33-,34+,35-,36-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453131
PNG
(CHEMBL4212629)
Show SMILES CC1(C)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H53N13O7/c1-44(2)42(64)56-35(19-28-22-48-23-51-28)41(63)54-33(17-24-13-14-25-8-3-4-9-26(25)16-24)39(61)52-31(12-7-15-49-43(46)47)38(60)55-34(18-27-21-50-30-11-6-5-10-29(27)30)40(62)53-32(37(45)59)20-36(58)57-44/h3-6,8-11,13-14,16,21-23,31-35,50H,7,12,15,17-20H2,1-2H3,(H2,45,59)(H,48,51)(H,52,61)(H,53,62)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453134
PNG
(CHEMBL4216654)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C46H55N13O7/c47-39(61)34-22-38(60)59-46(15-5-6-16-46)44(66)58-37(21-30-24-50-25-53-30)43(65)56-35(19-26-13-14-27-8-1-2-9-28(27)18-26)41(63)54-33(12-7-17-51-45(48)49)40(62)57-36(42(64)55-34)20-29-23-52-32-11-4-3-10-31(29)32/h1-4,8-11,13-14,18,23-25,33-37,52H,5-7,12,15-17,19-22H2,(H2,47,61)(H,50,53)(H,54,63)(H,55,64)(H,56,65)(H,57,62)(H,58,66)(H,59,60)(H4,48,49,51)/t33-,34-,35+,36-,37-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453132
PNG
(CHEMBL4207725)
Show SMILES CC1(C)NC(=O)C[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](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C40H51N13O7/c1-40(2)38(60)52-31(17-24-20-44-21-47-24)37(59)50-29(15-22-9-4-3-5-10-22)35(57)48-27(13-8-14-45-39(42)43)34(56)51-30(16-23-19-46-26-12-7-6-11-25(23)26)36(58)49-28(33(41)55)18-32(54)53-40/h3-7,9-12,19-21,27-31,46H,8,13-18H2,1-2H3,(H2,41,55)(H,44,47)(H,48,57)(H,49,58)(H,50,59)(H,51,56)(H,52,60)(H,53,54)(H4,42,43,45)/t27-,28-,29+,30-,31-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50453137
PNG
(CHEMBL4217528)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C48H59N13O7/c49-41(63)35-16-17-40(62)61-48(18-6-1-7-19-48)46(68)60-39(24-32-26-52-27-55-32)45(67)58-37(22-28-14-15-29-9-2-3-10-30(29)21-28)43(65)57-36(13-8-20-53-47(50)51)42(64)59-38(44(66)56-35)23-31-25-54-34-12-5-4-11-33(31)34/h2-5,9-12,14-15,21,25-27,35-39,54H,1,6-8,13,16-20,22-24H2,(H2,49,63)(H,52,55)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,60,68)(H,61,62)(H4,50,51,53)/t35-,36-,37+,38-,39-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50453133
PNG
(CHEMBL4211275)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C46H55N13O7/c47-39(61)33-14-15-38(60)59-46(16-6-17-46)44(66)58-37(22-30-24-50-25-53-30)43(65)56-35(20-26-12-13-27-7-1-2-8-28(27)19-26)41(63)55-34(11-5-18-51-45(48)49)40(62)57-36(42(64)54-33)21-29-23-52-32-10-4-3-9-31(29)32/h1-4,7-10,12-13,19,23-25,33-37,52H,5-6,11,14-18,20-22H2,(H2,47,61)(H,50,53)(H,54,64)(H,55,63)(H,56,65)(H,57,62)(H,58,66)(H,59,60)(H4,48,49,51)/t33-,34-,35+,36-,37-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453128
PNG
(CHEMBL4207858)
Show SMILES CC1(C)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C45H55N13O7/c1-45(2)43(65)57-36(21-29-23-49-24-52-29)42(64)55-34(19-25-13-14-26-8-3-4-9-27(26)18-25)40(62)54-33(12-7-17-50-44(47)48)39(61)56-35(20-28-22-51-31-11-6-5-10-30(28)31)41(63)53-32(38(46)60)15-16-37(59)58-45/h3-6,8-11,13-14,18,22-24,32-36,51H,7,12,15-17,19-21H2,1-2H3,(H2,46,60)(H,49,52)(H,53,63)(H,54,62)(H,55,64)(H,56,61)(H,57,65)(H,58,59)(H4,47,48,50)/t32-,33-,34+,35-,36-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453125
PNG
(CHEMBL4214826)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C47H57N13O7/c48-40(62)34-15-16-39(61)60-47(17-5-6-18-47)45(67)59-38(23-31-25-51-26-54-31)44(66)57-36(21-27-13-14-28-8-1-2-9-29(28)20-27)42(64)56-35(12-7-19-52-46(49)50)41(63)58-37(43(65)55-34)22-30-24-53-33-11-4-3-10-32(30)33/h1-4,8-11,13-14,20,24-26,34-38,53H,5-7,12,15-19,21-23H2,(H2,48,62)(H,51,54)(H,55,65)(H,56,64)(H,57,66)(H,58,63)(H,59,67)(H,60,61)(H4,49,50,52)/t34-,35-,36+,37-,38-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453131
PNG
(CHEMBL4212629)
Show SMILES CC1(C)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H53N13O7/c1-44(2)42(64)56-35(19-28-22-48-23-51-28)41(63)54-33(17-24-13-14-25-8-3-4-9-26(25)16-24)39(61)52-31(12-7-15-49-43(46)47)38(60)55-34(18-27-21-50-30-11-6-5-10-29(27)30)40(62)53-32(37(45)59)20-36(58)57-44/h3-6,8-11,13-14,16,21-23,31-35,50H,7,12,15,17-20H2,1-2H3,(H2,45,59)(H,48,51)(H,52,61)(H,53,62)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453129
PNG
(CHEMBL4216242)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C42H53N13O7/c43-35(57)29-13-14-34(56)55-42(15-7-16-42)40(62)54-33(20-26-22-46-23-49-26)39(61)52-31(18-24-8-2-1-3-9-24)37(59)51-30(12-6-17-47-41(44)45)36(58)53-32(38(60)50-29)19-25-21-48-28-11-5-4-10-27(25)28/h1-5,8-11,21-23,29-33,48H,6-7,12-20H2,(H2,43,57)(H,46,49)(H,50,60)(H,51,59)(H,52,61)(H,53,58)(H,54,62)(H,55,56)(H4,44,45,47)/t29-,30-,31+,32-,33-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453129
PNG
(CHEMBL4216242)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C42H53N13O7/c43-35(57)29-13-14-34(56)55-42(15-7-16-42)40(62)54-33(20-26-22-46-23-49-26)39(61)52-31(18-24-8-2-1-3-9-24)37(59)51-30(12-6-17-47-41(44)45)36(58)53-32(38(60)50-29)19-25-21-48-28-11-5-4-10-27(25)28/h1-5,8-11,21-23,29-33,48H,6-7,12-20H2,(H2,43,57)(H,46,49)(H,50,60)(H,51,59)(H,52,61)(H,53,58)(H,54,62)(H,55,56)(H4,44,45,47)/t29-,30-,31+,32-,33-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453127
PNG
(CHEMBL4212762)
Show SMILES CC1(C)NC(=O)CC[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](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C41H53N13O7/c1-41(2)39(61)53-32(19-25-21-45-22-48-25)38(60)51-30(17-23-9-4-3-5-10-23)36(58)50-29(13-8-16-46-40(43)44)35(57)52-31(18-24-20-47-27-12-7-6-11-26(24)27)37(59)49-28(34(42)56)14-15-33(55)54-41/h3-7,9-12,20-22,28-32,47H,8,13-19H2,1-2H3,(H2,42,56)(H,45,48)(H,49,59)(H,50,58)(H,51,60)(H,52,57)(H,53,61)(H,54,55)(H4,43,44,46)/t28-,29-,30+,31-,32-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453137
PNG
(CHEMBL4217528)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C48H59N13O7/c49-41(63)35-16-17-40(62)61-48(18-6-1-7-19-48)46(68)60-39(24-32-26-52-27-55-32)45(67)58-37(22-28-14-15-29-9-2-3-10-30(29)21-28)43(65)57-36(13-8-20-53-47(50)51)42(64)59-38(44(66)56-35)23-31-25-54-34-12-5-4-11-33(31)34/h2-5,9-12,14-15,21,25-27,35-39,54H,1,6-8,13,16-20,22-24H2,(H2,49,63)(H,52,55)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,60,68)(H,61,62)(H4,50,51,53)/t35-,36-,37+,38-,39-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453124
PNG
(CHEMBL4209913)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H55N13O7/c44-36(58)30-14-15-35(57)56-43(16-6-7-17-43)41(63)55-34(21-27-23-47-24-50-27)40(62)53-32(19-25-9-2-1-3-10-25)38(60)52-31(13-8-18-48-42(45)46)37(59)54-33(39(61)51-30)20-26-22-49-29-12-5-4-11-28(26)29/h1-5,9-12,22-24,30-34,49H,6-8,13-21H2,(H2,44,58)(H,47,50)(H,51,61)(H,52,60)(H,53,62)(H,54,59)(H,55,63)(H,56,57)(H4,45,46,48)/t30-,31-,32+,33-,34-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453133
PNG
(CHEMBL4211275)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C46H55N13O7/c47-39(61)33-14-15-38(60)59-46(16-6-17-46)44(66)58-37(22-30-24-50-25-53-30)43(65)56-35(20-26-12-13-27-7-1-2-8-28(27)19-26)41(63)55-34(11-5-18-51-45(48)49)40(62)57-36(42(64)54-33)21-29-23-52-32-10-4-3-9-31(29)32/h1-4,7-10,12-13,19,23-25,33-37,52H,5-6,11,14-18,20-22H2,(H2,47,61)(H,50,53)(H,54,64)(H,55,63)(H,56,65)(H,57,62)(H,58,66)(H,59,60)(H4,48,49,51)/t33-,34-,35+,36-,37-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453134
PNG
(CHEMBL4216654)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C46H55N13O7/c47-39(61)34-22-38(60)59-46(15-5-6-16-46)44(66)58-37(21-30-24-50-25-53-30)43(65)56-35(19-26-13-14-27-8-1-2-9-28(27)18-26)41(63)54-33(12-7-17-51-45(48)49)40(62)57-36(42(64)55-34)20-29-23-52-32-11-4-3-10-31(29)32/h1-4,8-11,13-14,18,23-25,33-37,52H,5-7,12,15-17,19-22H2,(H2,47,61)(H,50,53)(H,54,63)(H,55,64)(H,56,65)(H,57,62)(H,58,66)(H,59,60)(H4,48,49,51)/t33-,34-,35+,36-,37-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50453139
PNG
(CHEMBL4205548)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H57N13O7/c45-37(59)31-15-16-36(58)57-44(17-7-2-8-18-44)42(64)56-35(22-28-24-48-25-51-28)41(63)54-33(20-26-10-3-1-4-11-26)39(61)53-32(14-9-19-49-43(46)47)38(60)55-34(40(62)52-31)21-27-23-50-30-13-6-5-12-29(27)30/h1,3-6,10-13,23-25,31-35,50H,2,7-9,14-22H2,(H2,45,59)(H,48,51)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453127
PNG
(CHEMBL4212762)
Show SMILES CC1(C)NC(=O)CC[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](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C41H53N13O7/c1-41(2)39(61)53-32(19-25-21-45-22-48-25)38(60)51-30(17-23-9-4-3-5-10-23)36(58)50-29(13-8-16-46-40(43)44)35(57)52-31(18-24-20-47-27-12-7-6-11-26(24)27)37(59)49-28(34(42)56)14-15-33(55)54-41/h3-7,9-12,20-22,28-32,47H,8,13-19H2,1-2H3,(H2,42,56)(H,45,48)(H,49,59)(H,50,58)(H,51,60)(H,52,57)(H,53,61)(H,54,55)(H4,43,44,46)/t28-,29-,30+,31-,32-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453126
PNG
(CHEMBL4208874)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C47H57N13O7/c48-40(62)35-23-39(61)60-47(16-6-1-7-17-47)45(67)59-38(22-31-25-51-26-54-31)44(66)57-36(20-27-14-15-28-9-2-3-10-29(28)19-27)42(64)55-34(13-8-18-52-46(49)50)41(63)58-37(43(65)56-35)21-30-24-53-33-12-5-4-11-32(30)33/h2-5,9-12,14-15,19,24-26,34-38,53H,1,6-8,13,16-18,20-23H2,(H2,48,62)(H,51,54)(H,55,64)(H,56,65)(H,57,66)(H,58,63)(H,59,67)(H,60,61)(H4,49,50,52)/t34-,35-,36+,37-,38-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453124
PNG
(CHEMBL4209913)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H55N13O7/c44-36(58)30-14-15-35(57)56-43(16-6-7-17-43)41(63)55-34(21-27-23-47-24-50-27)40(62)53-32(19-25-9-2-1-3-10-25)38(60)52-31(13-8-18-48-42(45)46)37(59)54-33(39(61)51-30)20-26-22-49-29-12-5-4-11-28(26)29/h1-5,9-12,22-24,30-34,49H,6-8,13-21H2,(H2,44,58)(H,47,50)(H,51,61)(H,52,60)(H,53,62)(H,54,59)(H,55,63)(H,56,57)(H4,45,46,48)/t30-,31-,32+,33-,34-/m0/s1
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n/an/a 93n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453139
PNG
(CHEMBL4205548)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H57N13O7/c45-37(59)31-15-16-36(58)57-44(17-7-2-8-18-44)42(64)56-35(22-28-24-48-25-51-28)41(63)54-33(20-26-10-3-1-4-11-26)39(61)53-32(14-9-19-49-43(46)47)38(60)55-34(40(62)52-31)21-27-23-50-30-13-6-5-12-29(27)30/h1,3-6,10-13,23-25,31-35,50H,2,7-9,14-22H2,(H2,45,59)(H,48,51)(H,52,62)(H,53,61)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453137
PNG
(CHEMBL4217528)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C48H59N13O7/c49-41(63)35-16-17-40(62)61-48(18-6-1-7-19-48)46(68)60-39(24-32-26-52-27-55-32)45(67)58-37(22-28-14-15-29-9-2-3-10-30(29)21-28)43(65)57-36(13-8-20-53-47(50)51)42(64)59-38(44(66)56-35)23-31-25-54-34-12-5-4-11-33(31)34/h2-5,9-12,14-15,21,25-27,35-39,54H,1,6-8,13,16-20,22-24H2,(H2,49,63)(H,52,55)(H,56,66)(H,57,65)(H,58,67)(H,59,64)(H,60,68)(H,61,62)(H4,50,51,53)/t35-,36-,37+,38-,39-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453125
PNG
(CHEMBL4214826)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C47H57N13O7/c48-40(62)34-15-16-39(61)60-47(17-5-6-18-47)45(67)59-38(23-31-25-51-26-54-31)44(66)57-36(21-27-13-14-28-8-1-2-9-29(28)20-27)42(64)56-35(12-7-19-52-46(49)50)41(63)58-37(43(65)55-34)22-30-24-53-33-11-4-3-10-32(30)33/h1-4,8-11,13-14,20,24-26,34-38,53H,5-7,12,15-19,21-23H2,(H2,48,62)(H,51,54)(H,55,65)(H,56,64)(H,57,66)(H,58,63)(H,59,67)(H,60,61)(H4,49,50,52)/t34-,35-,36+,37-,38-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453138
PNG
(CHEMBL4212209)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C45H53N13O7/c46-38(60)33-21-37(59)58-45(14-6-15-45)43(65)57-36(20-29-23-49-24-52-29)42(64)55-34(18-25-12-13-26-7-1-2-8-27(26)17-25)40(62)53-32(11-5-16-50-44(47)48)39(61)56-35(41(63)54-33)19-28-22-51-31-10-4-3-9-30(28)31/h1-4,7-10,12-13,17,22-24,32-36,51H,5-6,11,14-16,18-21H2,(H2,46,60)(H,49,52)(H,53,62)(H,54,63)(H,55,64)(H,56,61)(H,57,65)(H,58,59)(H4,47,48,50)/t32-,33-,34+,35-,36-/m0/s1
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n/an/a 112n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453133
PNG
(CHEMBL4211275)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C46H55N13O7/c47-39(61)33-14-15-38(60)59-46(16-6-17-46)44(66)58-37(22-30-24-50-25-53-30)43(65)56-35(20-26-12-13-27-7-1-2-8-28(27)19-26)41(63)55-34(11-5-18-51-45(48)49)40(62)57-36(42(64)54-33)21-29-23-52-32-10-4-3-9-31(29)32/h1-4,7-10,12-13,19,23-25,33-37,52H,5-6,11,14-18,20-22H2,(H2,47,61)(H,50,53)(H,54,64)(H,55,63)(H,56,65)(H,57,62)(H,58,66)(H,59,60)(H4,48,49,51)/t33-,34-,35+,36-,37-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453126
PNG
(CHEMBL4208874)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C47H57N13O7/c48-40(62)35-23-39(61)60-47(16-6-1-7-17-47)45(67)59-38(22-31-25-51-26-54-31)44(66)57-36(20-27-14-15-28-9-2-3-10-29(28)19-27)42(64)55-34(13-8-18-52-46(49)50)41(63)58-37(43(65)56-35)21-30-24-53-33-12-5-4-11-32(30)33/h2-5,9-12,14-15,19,24-26,34-38,53H,1,6-8,13,16-18,20-23H2,(H2,48,62)(H,51,54)(H,55,64)(H,56,65)(H,57,66)(H,58,63)(H,59,67)(H,60,61)(H4,49,50,52)/t34-,35-,36+,37-,38-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453130
PNG
(CHEMBL4206406)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H55N13O7/c44-36(58)31-21-35(57)56-43(15-7-2-8-16-43)41(63)55-34(20-27-23-47-24-50-27)40(62)53-32(18-25-10-3-1-4-11-25)38(60)51-30(14-9-17-48-42(45)46)37(59)54-33(39(61)52-31)19-26-22-49-29-13-6-5-12-28(26)29/h1,3-6,10-13,22-24,30-34,49H,2,7-9,14-21H2,(H2,44,58)(H,47,50)(H,51,60)(H,52,61)(H,53,62)(H,54,59)(H,55,63)(H,56,57)(H4,45,46,48)/t30-,31-,32+,33-,34-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50453134
PNG
(CHEMBL4216654)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C46H55N13O7/c47-39(61)34-22-38(60)59-46(15-5-6-16-46)44(66)58-37(21-30-24-50-25-53-30)43(65)56-35(19-26-13-14-27-8-1-2-9-28(27)18-26)41(63)54-33(12-7-17-51-45(48)49)40(62)57-36(42(64)55-34)20-29-23-52-32-11-4-3-10-31(29)32/h1-4,8-11,13-14,18,23-25,33-37,52H,5-7,12,15-17,19-22H2,(H2,47,61)(H,50,53)(H,54,63)(H,55,64)(H,56,65)(H,57,62)(H,58,66)(H,59,60)(H4,48,49,51)/t33-,34-,35+,36-,37-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50453131
PNG
(CHEMBL4212629)
Show SMILES CC1(C)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H53N13O7/c1-44(2)42(64)56-35(19-28-22-48-23-51-28)41(63)54-33(17-24-13-14-25-8-3-4-9-26(25)16-24)39(61)52-31(12-7-15-49-43(46)47)38(60)55-34(18-27-21-50-30-11-6-5-10-29(27)30)40(62)53-32(37(45)59)20-36(58)57-44/h3-6,8-11,13-14,16,21-23,31-35,50H,7,12,15,17-20H2,1-2H3,(H2,45,59)(H,48,51)(H,52,61)(H,53,62)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1
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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453131
PNG
(CHEMBL4212629)
Show SMILES CC1(C)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H53N13O7/c1-44(2)42(64)56-35(19-28-22-48-23-51-28)41(63)54-33(17-24-13-14-25-8-3-4-9-26(25)16-24)39(61)52-31(12-7-15-49-43(46)47)38(60)55-34(18-27-21-50-30-11-6-5-10-29(27)30)40(62)53-32(37(45)59)20-36(58)57-44/h3-6,8-11,13-14,16,21-23,31-35,50H,7,12,15,17-20H2,1-2H3,(H2,45,59)(H,48,51)(H,52,61)(H,53,62)(H,54,63)(H,55,60)(H,56,64)(H,57,58)(H4,46,47,49)/t31-,32-,33+,34-,35-/m0/s1
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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453130
PNG
(CHEMBL4206406)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C43H55N13O7/c44-36(58)31-21-35(57)56-43(15-7-2-8-16-43)41(63)55-34(20-27-23-47-24-50-27)40(62)53-32(18-25-10-3-1-4-11-25)38(60)51-30(14-9-17-48-42(45)46)37(59)54-33(39(61)52-31)19-26-22-49-29-13-6-5-12-28(26)29/h1,3-6,10-13,22-24,30-34,49H,2,7-9,14-21H2,(H2,44,58)(H,47,50)(H,51,60)(H,52,61)(H,53,62)(H,54,59)(H,55,63)(H,56,57)(H4,45,46,48)/t30-,31-,32+,33-,34-/m0/s1
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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453135
PNG
(CHEMBL4204975)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C42H53N13O7/c43-35(57)30-20-34(56)55-42(14-6-7-15-42)40(62)54-33(19-26-22-46-23-49-26)39(61)52-31(17-24-9-2-1-3-10-24)37(59)50-29(13-8-16-47-41(44)45)36(58)53-32(38(60)51-30)18-25-21-48-28-12-5-4-11-27(25)28/h1-5,9-12,21-23,29-33,48H,6-8,13-20H2,(H2,43,57)(H,46,49)(H,50,59)(H,51,60)(H,52,61)(H,53,58)(H,54,62)(H,55,56)(H4,44,45,47)/t29-,30-,31+,32-,33-/m0/s1
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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453134
PNG
(CHEMBL4216654)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C46H55N13O7/c47-39(61)34-22-38(60)59-46(15-5-6-16-46)44(66)58-37(21-30-24-50-25-53-30)43(65)56-35(19-26-13-14-27-8-1-2-9-28(27)18-26)41(63)54-33(12-7-17-51-45(48)49)40(62)57-36(42(64)55-34)20-29-23-52-32-11-4-3-10-31(29)32/h1-4,8-11,13-14,18,23-25,33-37,52H,5-7,12,15-17,19-22H2,(H2,47,61)(H,50,53)(H,54,63)(H,55,64)(H,56,65)(H,57,62)(H,58,66)(H,59,60)(H4,48,49,51)/t33-,34-,35+,36-,37-/m0/s1
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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50453127
PNG
(CHEMBL4212762)
Show SMILES CC1(C)NC(=O)CC[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](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C41H53N13O7/c1-41(2)39(61)53-32(19-25-21-45-22-48-25)38(60)51-30(17-23-9-4-3-5-10-23)36(58)50-29(13-8-16-46-40(43)44)35(57)52-31(18-24-20-47-27-12-7-6-11-26(24)27)37(59)49-28(34(42)56)14-15-33(55)54-41/h3-7,9-12,20-22,28-32,47H,8,13-19H2,1-2H3,(H2,42,56)(H,45,48)(H,49,59)(H,50,58)(H,51,60)(H,52,57)(H,53,61)(H,54,55)(H4,43,44,46)/t28-,29-,30+,31-,32-/m0/s1
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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453138
PNG
(CHEMBL4212209)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)C[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C45H53N13O7/c46-38(60)33-21-37(59)58-45(14-6-15-45)43(65)57-36(20-29-23-49-24-52-29)42(64)55-34(18-25-12-13-26-7-1-2-8-27(26)17-25)40(62)53-32(11-5-16-50-44(47)48)39(61)56-35(41(63)54-33)19-28-22-51-31-10-4-3-9-30(28)31/h1-4,7-10,12-13,17,22-24,32-36,51H,5-6,11,14-16,18-21H2,(H2,46,60)(H,49,52)(H,53,62)(H,54,63)(H,55,64)(H,56,61)(H,57,65)(H,58,59)(H4,47,48,50)/t32-,33-,34+,35-,36-/m0/s1
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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50453128
PNG
(CHEMBL4207858)
Show SMILES CC1(C)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C45H55N13O7/c1-45(2)43(65)57-36(21-29-23-49-24-52-29)42(64)55-34(19-25-13-14-26-8-3-4-9-27(26)18-25)40(62)54-33(12-7-17-50-44(47)48)39(61)56-35(20-28-22-51-31-11-6-5-10-30(28)31)41(63)53-32(38(46)60)15-16-37(59)58-45/h3-6,8-11,13-14,18,22-24,32-36,51H,7,12,15-17,19-21H2,1-2H3,(H2,46,60)(H,49,52)(H,53,63)(H,54,62)(H,55,64)(H,56,61)(H,57,65)(H,58,59)(H4,47,48,50)/t32-,33-,34+,35-,36-/m0/s1
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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50453129
PNG
(CHEMBL4216242)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C42H53N13O7/c43-35(57)29-13-14-34(56)55-42(15-7-16-42)40(62)54-33(20-26-22-46-23-49-26)39(61)52-31(18-24-8-2-1-3-9-24)37(59)51-30(12-6-17-47-41(44)45)36(58)53-32(38(60)50-29)19-25-21-48-28-11-5-4-10-27(25)28/h1-5,8-11,21-23,29-33,48H,6-7,12-20H2,(H2,43,57)(H,46,49)(H,50,60)(H,51,59)(H,52,61)(H,53,58)(H,54,62)(H,55,56)(H4,44,45,47)/t29-,30-,31+,32-,33-/m0/s1
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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50453127
PNG
(CHEMBL4212762)
Show SMILES CC1(C)NC(=O)CC[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](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C41H53N13O7/c1-41(2)39(61)53-32(19-25-21-45-22-48-25)38(60)51-30(17-23-9-4-3-5-10-23)36(58)50-29(13-8-16-46-40(43)44)35(57)52-31(18-24-20-47-27-12-7-6-11-26(24)27)37(59)49-28(34(42)56)14-15-33(55)54-41/h3-7,9-12,20-22,28-32,47H,8,13-19H2,1-2H3,(H2,42,56)(H,45,48)(H,49,59)(H,50,58)(H,51,60)(H,52,57)(H,53,61)(H,54,55)(H4,43,44,46)/t28-,29-,30+,31-,32-/m0/s1
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University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting method


J Med Chem 61: 4263-4269 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00488
BindingDB Entry DOI: 10.7270/Q22J6FF7
More data for this
Ligand-Target Pair
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