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SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

InChI Key: InChIKey=RVEIEULWMVBMRD-VOOUCTBASA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50250587   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50250587
PNG
(CHEMBL4079302)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C74H102N20O15/c1-41(2)32-53(92-72(109)62(42(3)4)93-63(100)49(75)33-45-25-27-47(95)28-26-45)64(101)85-40-60(97)94-31-15-24-58(94)71(108)91-55(35-44-18-9-6-10-19-44)68(105)86-52(23-14-30-82-74(79)80)67(104)89-56(36-46-38-83-50-21-12-11-20-48(46)50)69(106)90-57(37-61(98)99)70(107)87-51(22-13-29-81-73(77)78)66(103)88-54(65(102)84-39-59(76)96)34-43-16-7-5-8-17-43/h5-12,16-21,25-28,38,41-42,49,51-58,62,83,95H,13-15,22-24,29-37,39-40,75H2,1-4H3,(H2,76,96)(H,84,102)(H,85,101)(H,86,105)(H,87,107)(H,88,103)(H,89,104)(H,90,106)(H,91,108)(H,92,109)(H,93,100)(H,98,99)(H4,77,78,81)(H4,79,80,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



The University of Arizona

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 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50250587
PNG
(CHEMBL4079302)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C74H102N20O15/c1-41(2)32-53(92-72(109)62(42(3)4)93-63(100)49(75)33-45-25-27-47(95)28-26-45)64(101)85-40-60(97)94-31-15-24-58(94)71(108)91-55(35-44-18-9-6-10-19-44)68(105)86-52(23-14-30-82-74(79)80)67(104)89-56(36-46-38-83-50-21-12-11-20-48(46)50)69(106)90-57(37-61(98)99)70(107)87-51(22-13-29-81-73(77)78)66(103)88-54(65(102)84-39-59(76)96)34-43-16-7-5-8-17-43/h5-12,16-21,25-28,38,41-42,49,51-58,62,83,95H,13-15,22-24,29-37,39-40,75H2,1-4H3,(H2,76,96)(H,84,102)(H,85,101)(H,86,105)(H,87,107)(H,88,103)(H,89,104)(H,90,106)(H,91,108)(H,92,109)(H,93,100)(H,98,99)(H4,77,78,81)(H4,79,80,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 82n/an/an/an/an/an/a



The University of Arizona

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 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50250587
PNG
(CHEMBL4079302)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C74H102N20O15/c1-41(2)32-53(92-72(109)62(42(3)4)93-63(100)49(75)33-45-25-27-47(95)28-26-45)64(101)85-40-60(97)94-31-15-24-58(94)71(108)91-55(35-44-18-9-6-10-19-44)68(105)86-52(23-14-30-82-74(79)80)67(104)89-56(36-46-38-83-50-21-12-11-20-48(46)50)69(106)90-57(37-61(98)99)70(107)87-51(22-13-29-81-73(77)78)66(103)88-54(65(102)84-39-59(76)96)34-43-16-7-5-8-17-43/h5-12,16-21,25-28,38,41-42,49,51-58,62,83,95H,13-15,22-24,29-37,39-40,75H2,1-4H3,(H2,76,96)(H,84,102)(H,85,101)(H,86,105)(H,87,107)(H,88,103)(H,89,104)(H,90,106)(H,91,108)(H,92,109)(H,93,100)(H,98,99)(H4,77,78,81)(H4,79,80,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins


J Med Chem 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50250587
PNG
(CHEMBL4079302)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C74H102N20O15/c1-41(2)32-53(92-72(109)62(42(3)4)93-63(100)49(75)33-45-25-27-47(95)28-26-45)64(101)85-40-60(97)94-31-15-24-58(94)71(108)91-55(35-44-18-9-6-10-19-44)68(105)86-52(23-14-30-82-74(79)80)67(104)89-56(36-46-38-83-50-21-12-11-20-48(46)50)69(106)90-57(37-61(98)99)70(107)87-51(22-13-29-81-73(77)78)66(103)88-54(65(102)84-39-59(76)96)34-43-16-7-5-8-17-43/h5-12,16-21,25-28,38,41-42,49,51-58,62,83,95H,13-15,22-24,29-37,39-40,75H2,1-4H3,(H2,76,96)(H,84,102)(H,85,101)(H,86,105)(H,87,107)(H,88,103)(H,89,104)(H,90,106)(H,91,108)(H,92,109)(H,93,100)(H,98,99)(H4,77,78,81)(H4,79,80,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins


J Med Chem 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50250587
PNG
(CHEMBL4079302)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C74H102N20O15/c1-41(2)32-53(92-72(109)62(42(3)4)93-63(100)49(75)33-45-25-27-47(95)28-26-45)64(101)85-40-60(97)94-31-15-24-58(94)71(108)91-55(35-44-18-9-6-10-19-44)68(105)86-52(23-14-30-82-74(79)80)67(104)89-56(36-46-38-83-50-21-12-11-20-48(46)50)69(106)90-57(37-61(98)99)70(107)87-51(22-13-29-81-73(77)78)66(103)88-54(65(102)84-39-59(76)96)34-43-16-7-5-8-17-43/h5-12,16-21,25-28,38,41-42,49,51-58,62,83,95H,13-15,22-24,29-37,39-40,75H2,1-4H3,(H2,76,96)(H,84,102)(H,85,101)(H,86,105)(H,87,107)(H,88,103)(H,89,104)(H,90,106)(H,91,108)(H,92,109)(H,93,100)(H,98,99)(H4,77,78,81)(H4,79,80,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/an/an/a 4.60n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation measured after 3 mins


J Med Chem 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50250587
PNG
(CHEMBL4079302)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C74H102N20O15/c1-41(2)32-53(92-72(109)62(42(3)4)93-63(100)49(75)33-45-25-27-47(95)28-26-45)64(101)85-40-60(97)94-31-15-24-58(94)71(108)91-55(35-44-18-9-6-10-19-44)68(105)86-52(23-14-30-82-74(79)80)67(104)89-56(36-46-38-83-50-21-12-11-20-48(46)50)69(106)90-57(37-61(98)99)70(107)87-51(22-13-29-81-73(77)78)66(103)88-54(65(102)84-39-59(76)96)34-43-16-7-5-8-17-43/h5-12,16-21,25-28,38,41-42,49,51-58,62,83,95H,13-15,22-24,29-37,39-40,75H2,1-4H3,(H2,76,96)(H,84,102)(H,85,101)(H,86,105)(H,87,107)(H,88,103)(H,89,104)(H,90,106)(H,91,108)(H,92,109)(H,93,100)(H,98,99)(H4,77,78,81)(H4,79,80,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/an/an/a 5n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins


J Med Chem 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50250587
PNG
(CHEMBL4079302)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C74H102N20O15/c1-41(2)32-53(92-72(109)62(42(3)4)93-63(100)49(75)33-45-25-27-47(95)28-26-45)64(101)85-40-60(97)94-31-15-24-58(94)71(108)91-55(35-44-18-9-6-10-19-44)68(105)86-52(23-14-30-82-74(79)80)67(104)89-56(36-46-38-83-50-21-12-11-20-48(46)50)69(106)90-57(37-61(98)99)70(107)87-51(22-13-29-81-73(77)78)66(103)88-54(65(102)84-39-59(76)96)34-43-16-7-5-8-17-43/h5-12,16-21,25-28,38,41-42,49,51-58,62,83,95H,13-15,22-24,29-37,39-40,75H2,1-4H3,(H2,76,96)(H,84,102)(H,85,101)(H,86,105)(H,87,107)(H,88,103)(H,89,104)(H,90,106)(H,91,108)(H,92,109)(H,93,100)(H,98,99)(H4,77,78,81)(H4,79,80,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
PDB

KEGG

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n/an/an/an/a 23n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins


J Med Chem 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50250587
PNG
(CHEMBL4079302)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C74H102N20O15/c1-41(2)32-53(92-72(109)62(42(3)4)93-63(100)49(75)33-45-25-27-47(95)28-26-45)64(101)85-40-60(97)94-31-15-24-58(94)71(108)91-55(35-44-18-9-6-10-19-44)68(105)86-52(23-14-30-82-74(79)80)67(104)89-56(36-46-38-83-50-21-12-11-20-48(46)50)69(106)90-57(37-61(98)99)70(107)87-51(22-13-29-81-73(77)78)66(103)88-54(65(102)84-39-59(76)96)34-43-16-7-5-8-17-43/h5-12,16-21,25-28,38,41-42,49,51-58,62,83,95H,13-15,22-24,29-37,39-40,75H2,1-4H3,(H2,76,96)(H,84,102)(H,85,101)(H,86,105)(H,87,107)(H,88,103)(H,89,104)(H,90,106)(H,91,108)(H,92,109)(H,93,100)(H,98,99)(H4,77,78,81)(H4,79,80,82)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



The University of Arizona

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 60: 9320-9329 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01295
BindingDB Entry DOI: 10.7270/Q2XG9TJB
More data for this
Ligand-Target Pair