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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 = 'BDBM50339349'   
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


(Mus musculus)		BDBM50339349
PNG
((S)-2-acetamido-N-((R)-1-((6S,9S)-4-((S)-1-amino-3...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSCC(=O)N(C[C@H](CCCN=C(N)N)NC1=O)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:44.46,25.26,14.14,wD:33.35,4.3,(25.64,-3.74,;25.64,-5.28,;26.98,-6.06,;24.31,-6.06,;24.31,-7.6,;22.97,-8.37,;21.64,-7.6,;20.23,-8.23,;19.2,-7.09,;19.96,-5.75,;21.47,-6.07,;25.65,-8.36,;26.98,-7.6,;25.65,-9.91,;26.98,-10.68,;26.99,-12.22,;25.65,-12.99,;24.32,-12.22,;22.99,-12.99,;22.99,-14.53,;24.33,-15.3,;25.66,-14.52,;28.32,-9.9,;28.32,-8.36,;29.65,-10.67,;30.98,-9.9,;32.31,-10.67,;33.64,-9.9,;34.96,-10.67,;36.3,-9.91,;37.63,-10.69,;36.31,-8.37,;34.97,-7.59,;33.64,-8.36,;33.63,-6.82,;32.29,-6.06,;32.27,-4.52,;30.93,-3.76,;30.92,-2.22,;29.59,-1.46,;32.25,-1.44,;32.31,-7.58,;30.98,-8.36,;29.65,-7.59,;37.65,-7.61,;37.65,-6.07,;38.99,-5.3,;40.4,-5.93,;41.43,-4.79,;40.67,-3.46,;41.15,-2,;40.13,-.85,;38.61,-1.17,;38.14,-2.62,;39.16,-3.76,;38.98,-8.38,;40.32,-7.62,;38.97,-9.92,)|
Show InChI InChI=1S/C39H50N12O6S/c1-23(52)47-31(16-27-18-43-22-46-27)37(56)49-30(14-24-8-3-2-4-9-24)36(55)50-32-20-58-21-34(53)51(19-26(48-38(32)57)10-7-13-44-39(41)42)33(35(40)54)15-25-17-45-29-12-6-5-11-28(25)29/h2-6,8-9,11-12,17-18,22,26,30-33,45H,7,10,13-16,19-21H2,1H3,(H2,40,54)(H,43,46)(H,47,52)(H,48,57)(H,49,56)(H,50,55)(H4,41,42,44)/t26-,30+,31-,32+,33-/m0/s1
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Similars
Article
PubMed
n/an/an/an/a 7.60E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay

J Med Chem 54: 1379-90 (2011)


Article DOI: 10.1021/jm101425m
BindingDB Entry DOI: 10.7270/Q2FB537C
More data for this
Ligand-Target Pair