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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 = 'BDBM50189012'   
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))
BDBM50189012
PNG
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
225n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189012
PNG
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)
Show SMILES [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair