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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50179463'   
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 3


(Homo sapiens (Human))		BDBM50179463
PNG
((2R,5R)-5-acetylamino-2-benzyl-6-(4-hydroxy-phenyl...)
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]-c1ccccc1
Show InChI InChI=1S/C41H51N7O5/c1-27(49)46-34(25-29-15-20-35(50)21-16-29)19-18-33(23-28-9-4-3-5-10-28)38(51)47-36(13-8-22-45-41(42)43)40(53)48-37(39(52)44-2)26-30-14-17-31-11-6-7-12-32(31)24-30/h3-7,9-12,14-17,20-21,24,33-34,36-37,50H,8,13,18-19,22-23,25-26H2,1-2H3,(H,44,52)(H,46,49)(H,47,51)(H,48,53)(H4,42,43,45)/t33-,34-,36+,37+/m1/s1
PDB

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Similars
Article
PubMed
 2.47E+4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MC3 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