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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 = 'BDBM50174880'   
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))		BDBM50174880
PNG
(CHEMBL199740 | Penta-Apc-DPhe-Arg-2-Nal-Gly-NH2)
Show SMILES CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCC(N)=O |wU:22.23,33.35,7.6,10.13,wD:7.20,(-4.4,-.98,;-3.07,-1.75,;-1.73,-.99,;-.4,-1.76,;.93,-.99,;.93,.55,;2.27,-1.76,;3.61,-.99,;4.94,-.23,;4.94,1.3,;3.62,2.08,;2.28,1.31,;2.28,-.22,;3.63,3.61,;4.96,4.38,;4.98,5.91,;3.65,6.69,;2.31,5.92,;2.31,4.38,;4.94,-1.76,;4.94,-3.3,;6.29,-.99,;7.62,-1.76,;7.62,-3.3,;8.95,-4.07,;8.95,-5.63,;10.28,-6.39,;11.62,-5.63,;11.61,-4.07,;10.28,-3.3,;8.95,-.99,;8.95,.55,;10.29,-1.76,;11.63,-.99,;11.63,.55,;12.97,1.33,;12.97,2.88,;14.3,3.64,;14.3,5.19,;15.65,5.96,;12.97,5.96,;12.97,-1.76,;12.97,-3.3,;14.3,-.99,;15.65,-1.76,;15.65,-3.3,;16.98,-4.07,;18.31,-3.31,;19.65,-4.08,;19.65,-5.63,;20.98,-6.4,;20.97,-7.95,;19.63,-8.72,;18.29,-7.94,;18.3,-6.4,;16.97,-5.62,;16.98,-.99,;16.98,.55,;18.31,-1.76,;19.65,-.99,;20.97,-1.75,;22.31,-.98,;20.98,-3.28,)|
Show InChI InChI=1S/C48H61N9O6/c1-2-3-20-42(59)57-48(25-23-36(24-26-48)34-15-8-5-9-16-34)46(63)56-40(29-32-13-6-4-7-14-32)45(62)54-38(19-12-27-52-47(50)51)44(61)55-39(43(60)53-31-41(49)58)30-33-21-22-35-17-10-11-18-37(35)28-33/h4-11,13-18,21-22,28,36,38-40H,2-3,12,19-20,23-27,29-31H2,1H3,(H2,49,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,50,51,52)/t36-,38-,39?,40+,48+/m0/s1
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Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation

Bioorg Med Chem Lett 15: 5504-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7
More data for this
Ligand-Target Pair