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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 559.7
BDBM50215816

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

Found 5 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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215816
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)16-22-38(23-17-26(3)4)33(41)29-12-15-31-32(24-29)39(21-9-20-37-18-7-6-8-19-37)34(36-31)35-30-13-10-28(11-14-30)27(5)40/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215816
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)16-22-38(23-17-26(3)4)33(41)29-12-15-31-32(24-29)39(21-9-20-37-18-7-6-8-19-37)34(36-31)35-30-13-10-28(11-14-30)27(5)40/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50215816
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)16-22-38(23-17-26(3)4)33(41)29-12-15-31-32(24-29)39(21-9-20-37-18-7-6-8-19-37)34(36-31)35-30-13-10-28(11-14-30)27(5)40/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
400n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 3 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50215816
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)16-22-38(23-17-26(3)4)33(41)29-12-15-31-32(24-29)39(21-9-20-37-18-7-6-8-19-37)34(36-31)35-30-13-10-28(11-14-30)27(5)40/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 5 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50215816
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)16-22-38(23-17-26(3)4)33(41)29-12-15-31-32(24-29)39(21-9-20-37-18-7-6-8-19-37)34(36-31)35-30-13-10-28(11-14-30)27(5)40/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.20E+3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair