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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1728.9
BDBM50263842

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
339n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
617n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
832n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi...


J Med Chem 61: 3674-3684 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.15E+4n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi...


J Med Chem 61: 3674-3684 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.37E+4n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi...


J Med Chem 61: 3674-3684 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-alpha-MSH from human MC5R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proxi...


J Med Chem 61: 3674-3684 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 65n/an/an/an/a


TBA

Assay Description
Agonist activity at human melanocortin receptor 1 expressed in human T-Rex-293 cells assessed as stimulation of intracellular cAMP accumulation incub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 282n/an/an/an/a


TBA

Assay Description
Agonist activity at human melanocortin receptor 3 expressed in human T-REx-293 cells assessed as stimulation of intracellular cAMP accumulation incub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 47n/an/an/an/a


TBA

Assay Description
Agonist activity at human melanocortin receptor 4 expressed in human T-REx-293 cells using low doxycycline assessed as stimulation of intracellular c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 468n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in high doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 15 mins by HT...


J Med Chem 61: 3674-3684 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 85n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in low doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 45 mins by HTR...


J Med Chem 61: 3674-3684 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.10n/an/an/an/a


TBA

Assay Description
Agonist activity at human melanocortin receptor 4 expressed in human T-REx-293 cells using high doxycycline assessed as stimulation of intracellular ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00095
BindingDB Entry DOI: 10.7270/Q2N301TQ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.63E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in low doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 45 mins by HTR...


J Med Chem 61: 3674-3684 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50263842
PNG
(CHEMBL4099889)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|
Show InChI InChI=1S/C80H109N23O17S2/c1-5-43(2)64-74(116)98-57-40-121-122-41-58(97-67(109)51(24-14-28-86-79(81)82)91-62(105)39-89-66(108)55(36-63(106)107)94-72(114)59-26-16-30-102(59)77(119)56(96-70(57)112)33-46-20-10-7-11-21-46)71(113)100-65(44(3)104)75(117)95-54(35-48-38-85-42-90-48)69(111)93-53(32-45-18-8-6-9-19-45)68(110)92-52(25-15-29-87-80(83)84)76(118)101(4)61(34-47-37-88-50-23-13-12-22-49(47)50)78(120)103-31-17-27-60(103)73(115)99-64/h6-13,18-23,37-38,42-44,51-61,64-65,88,104H,5,14-17,24-36,39-41H2,1-4H3,(H,85,90)(H,89,108)(H,91,105)(H,92,110)(H,93,111)(H,94,114)(H,95,117)(H,96,112)(H,97,109)(H,98,116)(H,99,115)(H,100,113)(H,106,107)(H4,81,82,86)(H4,83,84,87)/t43-,44+,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.69E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R expressed in low doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 45 mins by HTR...


J Med Chem 61: 3674-3684 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00170
BindingDB Entry DOI: 10.7270/Q2736TCZ
More data for this
Ligand-Target Pair