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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50230818'   
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))		BDBM50230818
PNG
(CHEMBL413043 | c[CO-2,6-pyridine-CO-D-Phe-Arg-Trp-...)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(n2)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:7.6,39.41,wD:11.11,35.57,(25.77,6.84,;24.43,6.08,;23.09,6.84,;24.43,4.53,;23.09,3.76,;23.09,2.22,;21.76,1.45,;21.76,-.09,;20.42,-.87,;19.08,-.09,;19.08,1.45,;17.75,-.87,;16.42,-.09,;16.42,1.45,;17.75,2.21,;17.75,3.75,;16.42,4.53,;15.08,3.74,;15.09,2.21,;17.75,-2.41,;16.42,-3.18,;15.08,-2.41,;16.42,-4.72,;17.74,-5.49,;17.75,-7.03,;16.41,-7.8,;15.07,-7.03,;15.08,-5.49,;13.9,-7.78,;12.21,-7.8,;17.78,-10.11,;19.11,-9.34,;20.44,-10.11,;21.77,-9.34,;21.77,-7.81,;23.09,-7.04,;23.09,-5.5,;24.43,-4.72,;25.77,-5.5,;24.43,-3.18,;25.77,-2.41,;27.1,-3.18,;27.27,-4.71,;28.78,-5.03,;29.54,-3.7,;31.05,-3.38,;31.52,-1.92,;30.5,-.78,;29,-1.09,;28.52,-2.55,;23.09,-2.41,;23.09,-.87,;24.43,-.09,;24.42,-7.81,;25.75,-7.04,;24.42,-9.34,)|
Show InChI InChI=1S/C39H47N11O6/c40-33(51)27-14-6-7-18-43-34(52)28-15-8-16-29(46-28)35(53)49-31(20-23-10-2-1-3-11-23)37(55)48-30(17-9-19-44-39(41)42)36(54)50-32(38(56)47-27)21-24-22-45-26-13-5-4-12-25(24)26/h1-5,8,10-13,15-16,22,27,30-32,45H,6-7,9,14,17-21H2,(H2,40,51)(H,43,52)(H,47,56)(H,48,55)(H,49,53)(H,50,54)(H4,41,42,44)/t27-,30-,31+,32-/m0/s1
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UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells

J Med Chem 51: 187-95 (2008)


Article DOI: 10.1021/jm070461w
BindingDB Entry DOI: 10.7270/Q2V125N2
More data for this
Ligand-Target Pair