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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 = 'BDBM50191563'   
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))
BDBM50191563
PNG
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N6O5/c1-26(46)43-35(21-28-14-17-33(47)18-15-28)37(48)44-36(22-27-8-3-2-4-9-27)38(49)45-24-34(23-32(45)12-7-19-42-39(40)41)50-25-29-13-16-30-10-5-6-11-31(30)20-29/h2-6,8-11,13-18,20,32,34-36,47H,7,12,19,21-25H2,1H3,(H,43,46)(H,44,48)(H4,40,41,42)/t32-,34+,35-,36+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells


J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50191563
PNG
((S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopr...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
Show InChI InChI=1S/C39H46N6O5/c1-26(46)43-35(21-28-14-17-33(47)18-15-28)37(48)44-36(22-27-8-3-2-4-9-27)38(49)45-24-34(23-32(45)12-7-19-42-39(40)41)50-25-29-13-16-30-10-5-6-11-31(30)20-29/h2-6,8-11,13-18,20,32,34-36,47H,7,12,19,21-25H2,1H3,(H,43,46)(H,44,48)(H4,40,41,42)/t32-,34+,35-,36+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R transfected in HEK293 cells


J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair