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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 = 'BDBM50182081'   
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))
BDBM50182081
PNG
(CHEMBL205461 | N-[2-(5-bromo-2-methoxy-benzyloxy)-...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1OCc1cc(Br)ccc1OC |w:10.9|
Show InChI InChI=1S/C25H34BrFN4O3/c1-5-31(6-2)14-8-9-17(3)29-25(28)30-24(32)20-10-7-11-21(27)23(20)34-16-18-15-19(26)12-13-22(18)33-4/h7,10-13,15,17H,5-6,8-9,14,16H2,1-4H3,(H3,28,29,30,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
900n/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))
BDBM50182081
PNG
(CHEMBL205461 | N-[2-(5-bromo-2-methoxy-benzyloxy)-...)
Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1OCc1cc(Br)ccc1OC |w:10.9|
Show InChI InChI=1S/C25H34BrFN4O3/c1-5-31(6-2)14-8-9-17(3)29-25(28)30-24(32)20-10-7-11-21(27)23(20)34-16-18-15-19(26)12-13-22(18)33-4/h7,10-13,15,17H,5-6,8-9,14,16H2,1-4H3,(H3,28,29,30,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 530n/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