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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 = 'BDBM50179466'   
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))
BDBM50179466
PNG
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...)
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](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C41H50FN7O5/c1-26(50)47-34(24-28-12-19-35(51)20-13-28)18-15-32(22-27-10-16-33(42)17-11-27)38(52)48-36(8-5-21-46-41(43)44)40(54)49-37(39(53)45-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-17,19-20,23,32,34,36-37,51H,5,8,15,18,21-22,24-25H2,1-2H3,(H,45,53)(H,47,50)(H,48,52)(H,49,54)(H4,43,44,46)/t32-,34-,36+,37+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179466
PNG
((2R,5R)-5-acetylamino-2-(4-fluoro-benzyl)-6-(4-hyd...)
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](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
Show InChI InChI=1S/C41H50FN7O5/c1-26(50)47-34(24-28-12-19-35(51)20-13-28)18-15-32(22-27-10-16-33(42)17-11-27)38(52)48-36(8-5-21-46-41(43)44)40(54)49-37(39(53)45-2)25-29-9-14-30-6-3-4-7-31(30)23-29/h3-4,6-7,9-14,16-17,19-20,23,32,34,36-37,51H,5,8,15,18,21-22,24-25H2,1-2H3,(H,45,53)(H,47,50)(H,48,52)(H,49,54)(H4,43,44,46)/t32-,34-,36+,37+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist potency at MC4 receptor


Bioorg Med Chem Lett 16: 1721-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.005
BindingDB Entry DOI: 10.7270/Q2ZS2W2N
More data for this
Ligand-Target Pair