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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 508.6
BDBM323223

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

Found 2 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))
BDBM323223
PNG
(N-[(R)-1-(3,4-difluorobenzyl)-2-oxo-2-(3-pentyl-3-...)
Show SMILES CCCCCC1(CN(C1)C(=O)[C@@H](Cc1ccc(F)c(F)c1)NC(=O)CCc1c[nH]cn1)c1ccccc1
Show InChI InChI=1S/C29H34F2N4O2/c1-2-3-7-14-29(22-8-5-4-6-9-22)18-35(19-29)28(37)26(16-21-10-12-24(30)25(31)15-21)34-27(36)13-11-23-17-32-20-33-23/h4-6,8-10,12,15,17,20,26H,2-3,7,11,13-14,16,18-19H2,1H3,(H,32,33)(H,34,36)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.00E+3n/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
In the presence of an activator (agonist), the melanocortin receptor will activate the cAMP pathway which, via the CRE-Luc vector, will result in the...


US Patent US9630949 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46H9
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM323223
PNG
(N-[(R)-1-(3,4-difluorobenzyl)-2-oxo-2-(3-pentyl-3-...)
Show SMILES CCCCCC1(CN(C1)C(=O)[C@@H](Cc1ccc(F)c(F)c1)NC(=O)CCc1c[nH]cn1)c1ccccc1
Show InChI InChI=1S/C29H34F2N4O2/c1-2-3-7-14-29(22-8-5-4-6-9-22)18-35(19-29)28(37)26(16-21-10-12-24(30)25(31)15-21)34-27(36)13-11-23-17-32-20-33-23/h4-6,8-10,12,15,17,20,26H,2-3,7,11,13-14,16,18-19H2,1H3,(H,32,33)(H,34,36)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.00E+3n/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
In the presence of an activator (agonist), the melanocortin receptor will activate the cAMP pathway which, via the CRE-Luc vector, will result in the...


US Patent US9630949 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46H9
More data for this
Ligand-Target Pair