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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.4
BDBM50111193

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))
BDBM50111193
PNG
((R)-3-(1H-Indol-3-yl)-2-[(naphthalen-2-ylmethyl)-a...)
Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H21N3O/c23-22(26)21(12-18-14-25-20-8-4-3-7-19(18)20)24-13-15-9-10-16-5-1-2-6-17(16)11-15/h1-11,14,21,24-25H,12-13H2,(H2,23,26)/t21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 1 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50111193
PNG
((R)-3-(1H-Indol-3-yl)-2-[(naphthalen-2-ylmethyl)-a...)
Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H21N3O/c23-22(26)21(12-18-14-25-20-8-4-3-7-19(18)20)24-13-15-9-10-16-5-1-2-6-17(16)11-15/h1-11,14,21,24-25H,12-13H2,(H2,23,26)/t21-/m1/s1
PDB

UniProtKB/SwissProt

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PubMed
3.70E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 5 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50111193
PNG
((R)-3-(1H-Indol-3-yl)-2-[(naphthalen-2-ylmethyl)-a...)
Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H21N3O/c23-22(26)21(12-18-14-25-20-8-4-3-7-19(18)20)24-13-15-9-10-16-5-1-2-6-17(16)11-15/h1-11,14,21,24-25H,12-13H2,(H2,23,26)/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PubMed
5.30E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 3 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50111193
PNG
((R)-3-(1H-Indol-3-yl)-2-[(naphthalen-2-ylmethyl)-a...)
Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H21N3O/c23-22(26)21(12-18-14-25-20-8-4-3-7-19(18)20)24-13-15-9-10-16-5-1-2-6-17(16)11-15/h1-11,14,21,24-25H,12-13H2,(H2,23,26)/t21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.40E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 4 receptor


Bioorg Med Chem Lett 12: 1039-42 (2002)


BindingDB Entry DOI: 10.7270/Q2833SKD
More data for this
Ligand-Target Pair