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BDBM50034912 (S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide::Ac-DPhe-Arg-Trp-NH2::CHEMBL432895

SMILES: CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=LUCUFURZWPZEOH-KMDXXIMOSA-N

Data: 4 IC50  4 EC50

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 = 50034912   
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 (MC3R)


(Homo sapiens (Human))
BDBM50034912
PNG
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C28H36N8O4/c1-17(37)34-24(14-18-8-3-2-4-9-18)27(40)35-22(12-7-13-32-28(30)31)26(39)36-23(25(29)38)15-19-16-33-21-11-6-5-10-20(19)21/h2-6,8-11,16,22-24,33H,7,12-15H2,1H3,(H2,29,38)(H,34,37)(H,35,40)(H,36,39)(H4,30,31,32)/t22-,23-,24+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from Melanocortin 3 receptor at 10 uM


J Med Chem 40: 2133-9 (1997)


Article DOI: 10.1021/jm960840h
BindingDB Entry DOI: 10.7270/Q28K79R6
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50034912
PNG
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C28H36N8O4/c1-17(37)34-24(14-18-8-3-2-4-9-18)27(40)35-22(12-7-13-32-28(30)31)26(39)36-23(25(29)38)15-19-16-33-21-11-6-5-10-20(19)21/h2-6,8-11,16,22-24,33H,7,12-15H2,1H3,(H2,29,38)(H,34,37)(H,35,40)(H,36,39)(H4,30,31,32)/t22-,23-,24+/m0/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC1 receptor expressed in HEK-293 cells assessed as cAMP response measured after 2 hrs incubation by cAMP Alphascreen assay


ACS Med Chem Lett 6: 568-72 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00053
BindingDB Entry DOI: 10.7270/Q2PZ5BJP
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50034912
PNG
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C28H36N8O4/c1-17(37)34-24(14-18-8-3-2-4-9-18)27(40)35-22(12-7-13-32-28(30)31)26(39)36-23(25(29)38)15-19-16-33-21-11-6-5-10-20(19)21/h2-6,8-11,16,22-24,33H,7,12-15H2,1H3,(H2,29,38)(H,34,37)(H,35,40)(H,36,39)(H4,30,31,32)/t22-,23-,24+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from Melanocortin 5 receptor at 10 uM


J Med Chem 40: 2133-9 (1997)


Article DOI: 10.1021/jm960840h
BindingDB Entry DOI: 10.7270/Q28K79R6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50034912
PNG
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C28H36N8O4/c1-17(37)34-24(14-18-8-3-2-4-9-18)27(40)35-22(12-7-13-32-28(30)31)26(39)36-23(25(29)38)15-19-16-33-21-11-6-5-10-20(19)21/h2-6,8-11,16,22-24,33H,7,12-15H2,1H3,(H2,29,38)(H,34,37)(H,35,40)(H,36,39)(H4,30,31,32)/t22-,23-,24+/m0/s1
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n/an/an/an/a 2.32E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Functional activity at the mouse melanocortin 4 receptor


J Med Chem 44: 2247-52 (2001)


Article DOI: 10.1021/jm010061n
BindingDB Entry DOI: 10.7270/Q2GB24S4
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50034912
PNG
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C28H36N8O4/c1-17(37)34-24(14-18-8-3-2-4-9-18)27(40)35-22(12-7-13-32-28(30)31)26(39)36-23(25(29)38)15-19-16-33-21-11-6-5-10-20(19)21/h2-6,8-11,16,22-24,33H,7,12-15H2,1H3,(H2,29,38)(H,34,37)(H,35,40)(H,36,39)(H4,30,31,32)/t22-,23-,24+/m0/s1
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n/an/a 2.08E+3n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from Melanocortin 4 receptor at 10 uM


J Med Chem 40: 2133-9 (1997)


Article DOI: 10.1021/jm960840h
BindingDB Entry DOI: 10.7270/Q28K79R6
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50034912
PNG
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C28H36N8O4/c1-17(37)34-24(14-18-8-3-2-4-9-18)27(40)35-22(12-7-13-32-28(30)31)26(39)36-23(25(29)38)15-19-16-33-21-11-6-5-10-20(19)21/h2-6,8-11,16,22-24,33H,7,12-15H2,1H3,(H2,29,38)(H,34,37)(H,35,40)(H,36,39)(H4,30,31,32)/t22-,23-,24+/m0/s1
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n/an/an/an/a 4.54E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Functional activity at the mouse melanocortin 1 receptor


J Med Chem 44: 2247-52 (2001)


Article DOI: 10.1021/jm010061n
BindingDB Entry DOI: 10.7270/Q2GB24S4
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50034912
PNG
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C28H36N8O4/c1-17(37)34-24(14-18-8-3-2-4-9-18)27(40)35-22(12-7-13-32-28(30)31)26(39)36-23(25(29)38)15-19-16-33-21-11-6-5-10-20(19)21/h2-6,8-11,16,22-24,33H,7,12-15H2,1H3,(H2,29,38)(H,34,37)(H,35,40)(H,36,39)(H4,30,31,32)/t22-,23-,24+/m0/s1
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n/an/an/an/a 1.66E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Functional activity at the mouse melanocortin 5 receptor


J Med Chem 44: 2247-52 (2001)


Article DOI: 10.1021/jm010061n
BindingDB Entry DOI: 10.7270/Q2GB24S4
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50034912
PNG
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C28H36N8O4/c1-17(37)34-24(14-18-8-3-2-4-9-18)27(40)35-22(12-7-13-32-28(30)31)26(39)36-23(25(29)38)15-19-16-33-21-11-6-5-10-20(19)21/h2-6,8-11,16,22-24,33H,7,12-15H2,1H3,(H2,29,38)(H,34,37)(H,35,40)(H,36,39)(H4,30,31,32)/t22-,23-,24+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from Melanocortin 1 receptor at 10 uM


J Med Chem 40: 2133-9 (1997)


Article DOI: 10.1021/jm960840h
BindingDB Entry DOI: 10.7270/Q28K79R6
More data for this
Ligand-Target Pair