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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.5
BDBM323182

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))
BDBM323182
PNG
(N-[(S)-2-(3-hydroxy-3-o-tolylazetidin-1-yl)-1-(4-m...)
Show SMILES COc1ccc(C[C@H](NC(=O)CCc2c[nH]cn2)C(=O)N2CC(O)(C2)c2ccccc2C)cc1
Show InChI InChI=1S/C26H30N4O4/c1-18-5-3-4-6-22(18)26(33)15-30(16-26)25(32)23(13-19-7-10-21(34-2)11-8-19)29-24(31)12-9-20-14-27-17-28-20/h3-8,10-11,14,17,23,33H,9,12-13,15-16H2,1-2H3,(H,27,28)(H,29,31)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 8.00E+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))
BDBM323182
PNG
(N-[(S)-2-(3-hydroxy-3-o-tolylazetidin-1-yl)-1-(4-m...)
Show SMILES COc1ccc(C[C@H](NC(=O)CCc2c[nH]cn2)C(=O)N2CC(O)(C2)c2ccccc2C)cc1
Show InChI InChI=1S/C26H30N4O4/c1-18-5-3-4-6-22(18)26(33)15-30(16-26)25(32)23(13-19-7-10-21(34-2)11-8-19)29-24(31)12-9-20-14-27-17-28-20/h3-8,10-11,14,17,23,33H,9,12-13,15-16H2,1-2H3,(H,27,28)(H,29,31)/t23-/m0/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