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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50182065'   
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))
BDBM50182065
PNG
(CHEMBL205996 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCCCC1 |w:23.25|
Show InChI InChI=1S/C26H34BrFN4O2/c1-34-24-13-11-20(27)18-19(24)10-12-21-22(8-7-9-23(21)28)25(33)31-26(29)30-14-3-6-17-32-15-4-2-5-16-32/h7-9,11,13,18H,2-6,10,12,14-17H2,1H3,(H3,29,30,31,33)
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.580n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4R by membrane filtration assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50182065
PNG
(CHEMBL205996 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCCCC1 |w:23.25|
Show InChI InChI=1S/C26H34BrFN4O2/c1-34-24-13-11-20(27)18-19(24)10-12-21-22(8-7-9-23(21)28)25(33)31-26(29)30-14-3-6-17-32-15-4-2-5-16-32/h7-9,11,13,18H,2-6,10,12,14-17H2,1H3,(H3,29,30,31,33)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against MC4R by cAMP functional assay


Bioorg Med Chem Lett 16: 2302-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.016
BindingDB Entry DOI: 10.7270/Q2PV6JZW
More data for this
Ligand-Target Pair