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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 = 'BDBM50182077'   
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))
BDBM50182077
PNG
(CHEMBL207946 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCCCC1 |w:23.25|
Show InChI InChI=1S/C25H32BrFN4O2/c1-33-23-12-10-19(26)17-18(23)9-11-20-21(7-5-8-22(20)27)24(32)30-25(28)29-13-6-16-31-14-3-2-4-15-31/h5,7-8,10,12,17H,2-4,6,9,11,13-16H2,1H3,(H3,28,29,30,32)
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.20n/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))
BDBM50182077
PNG
(CHEMBL207946 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCCCC1 |w:23.25|
Show InChI InChI=1S/C25H32BrFN4O2/c1-33-23-12-10-19(26)17-18(23)9-11-20-21(7-5-8-22(20)27)24(32)30-25(28)29-13-6-16-31-14-3-2-4-15-31/h5,7-8,10,12,17H,2-4,6,9,11,13-16H2,1H3,(H3,28,29,30,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 330n/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