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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 426.5
BDBM50111165

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


(Homo sapiens (Human))
BDBM50111165
PNG
(CHEMBL266305 | N-(2-Amino-ethyl)-2,3-bis-[(naphtha...)
Show SMILES NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O/c28-13-14-30-27(32)26(31-18-21-10-12-23-6-2-4-8-25(23)16-21)19-29-17-20-9-11-22-5-1-3-7-24(22)15-20/h1-12,15-16,26,29,31H,13-14,17-19,28H2,(H,30,32)/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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2.70E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 1 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50111165
PNG
(CHEMBL266305 | N-(2-Amino-ethyl)-2,3-bis-[(naphtha...)
Show SMILES NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O/c28-13-14-30-27(32)26(31-18-21-10-12-23-6-2-4-8-25(23)16-21)19-29-17-20-9-11-22-5-1-3-7-24(22)15-20/h1-12,15-16,26,29,31H,13-14,17-19,28H2,(H,30,32)/t26-/m0/s1
PDB

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2.80E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 5 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111165
PNG
(CHEMBL266305 | N-(2-Amino-ethyl)-2,3-bis-[(naphtha...)
Show SMILES NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O/c28-13-14-30-27(32)26(31-18-21-10-12-23-6-2-4-8-25(23)16-21)19-29-17-20-9-11-22-5-1-3-7-24(22)15-20/h1-12,15-16,26,29,31H,13-14,17-19,28H2,(H,30,32)/t26-/m0/s1
PDB

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UniProtKB/SwissProt

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4.40E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 4 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50111165
PNG
(CHEMBL266305 | N-(2-Amino-ethyl)-2,3-bis-[(naphtha...)
Show SMILES NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O/c28-13-14-30-27(32)26(31-18-21-10-12-23-6-2-4-8-25(23)16-21)19-29-17-20-9-11-22-5-1-3-7-24(22)15-20/h1-12,15-16,26,29,31H,13-14,17-19,28H2,(H,30,32)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.80E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards human recombinant Melanocortin 3 receptor by using radioligand binding assay


Bioorg Med Chem Lett 12: 1035-8 (2002)


BindingDB Entry DOI: 10.7270/Q2D799RR
More data for this
Ligand-Target Pair