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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 = 'BDBM50310318'   
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


(Mus musculus)		BDBM50310318
PNG
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)
Show SMILES NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:27.28,38.40,wD:49.51,(8.11,-.38,;6.78,-1.16,;6.78,-2.7,;5.44,-.39,;4.12,-1.16,;2.78,-.4,;2.77,1.14,;1.39,3.51,;.06,4.27,;.05,5.81,;-1.27,3.49,;-2.61,4.25,;-3.94,3.47,;-3.93,1.93,;-2.59,1.17,;-5.26,1.15,;-6.6,1.92,;-6.61,3.46,;-5.27,4.23,;-5.28,5.77,;-6.62,6.53,;-7.96,5.74,;-7.94,4.21,;-5.25,-.39,;-6.58,-1.16,;-7.91,-.4,;-6.56,-2.7,;-5.22,-3.48,;-5.24,-5.02,;-6.58,-5.77,;-7.9,-4.98,;-9.24,-5.73,;-9.26,-7.27,;-7.93,-8.06,;-6.59,-7.3,;-3.89,-2.71,;-3.89,-1.17,;-2.55,-3.48,;-1.21,-2.71,;-1.21,-4.25,;-2.55,-5.02,;-2.55,-6.56,;-3.88,-7.33,;-3.88,-8.87,;-5.22,-9.64,;-2.55,-9.64,;.11,-3.48,;.11,-5.02,;1.45,-2.71,;2.78,-3.48,;2.78,-5.02,;4.12,-5.79,;5.35,-4.86,;6.62,-5.74,;6.17,-7.21,;6.96,-8.52,;6.23,-9.86,;4.68,-9.9,;3.89,-8.58,;4.63,-7.24,;4.12,-2.7,;5.46,-3.47,)|
Show InChI InChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-40(59)55(26-30-13-5-2-6-14-30)28-39(58)51-35(23-29-11-3-1-4-12-29)42(61)52-34(17-10-20-49-44(46)47)41(60)53-36(43(54)62)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H4,46,47,49)/t34-,35+,36-/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 640n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay

Bioorg Med Chem 18: 580-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3
More data for this
Ligand-Target Pair