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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 393.4
BDBM50129184

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

Found 4 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


(Mus musculus)
BDBM50129184
PNG
(CHEMBL293673 | N-(3-Amino-propyl)-2-((S)-3-benzyl-...)
Show SMILES NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C22H27N5O2/c23-11-6-12-24-21(28)20(13-17-15-25-19-10-5-4-9-18(17)19)27-22(29)26-14-16-7-2-1-3-8-16/h1-5,7-10,15,20,25H,6,11-14,23H2,(H,24,28)(H2,26,27,29)/t20-/m0/s1
KEGG

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PubMed
n/an/an/an/a 5.12E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity on mouse melanocortin 1 receptor (mMC1R) stably expressed in HEK cells


Bioorg Med Chem Lett 13: 2079-82 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4XBW
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50129184
PNG
(CHEMBL293673 | N-(3-Amino-propyl)-2-((S)-3-benzyl-...)
Show SMILES NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C22H27N5O2/c23-11-6-12-24-21(28)20(13-17-15-25-19-10-5-4-9-18(17)19)27-22(29)26-14-16-7-2-1-3-8-16/h1-5,7-10,15,20,25H,6,11-14,23H2,(H,24,28)(H2,26,27,29)/t20-/m0/s1
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KEGG

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PC sid
UniChem

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PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity on mouse Melanocortin 3 receptor (mMC3R) stably expressed in HEK cells


Bioorg Med Chem Lett 13: 2079-82 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4XBW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50129184
PNG
(CHEMBL293673 | N-(3-Amino-propyl)-2-((S)-3-benzyl-...)
Show SMILES NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C22H27N5O2/c23-11-6-12-24-21(28)20(13-17-15-25-19-10-5-4-9-18(17)19)27-22(29)26-14-16-7-2-1-3-8-16/h1-5,7-10,15,20,25H,6,11-14,23H2,(H,24,28)(H2,26,27,29)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity on mouse melanocortin 4 receptor (mMC4R) stably expressed in HEL cells


Bioorg Med Chem Lett 13: 2079-82 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4XBW
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50129184
PNG
(CHEMBL293673 | N-(3-Amino-propyl)-2-((S)-3-benzyl-...)
Show SMILES NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
Show InChI InChI=1S/C22H27N5O2/c23-11-6-12-24-21(28)20(13-17-15-25-19-10-5-4-9-18(17)19)27-22(29)26-14-16-7-2-1-3-8-16/h1-5,7-10,15,20,25H,6,11-14,23H2,(H,24,28)(H2,26,27,29)/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 3.99E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity on mouse melanocortin 5 receptor (mMC5R) stably expressed in HEL cells


Bioorg Med Chem Lett 13: 2079-82 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4XBW
More data for this
Ligand-Target Pair