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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 = 'BDBM50217788'   
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))		BDBM50217788
PNG
((Z)-N-((4-(aminomethyl)cyclohexyl)methyl)-N-(2-chl...)
Show SMILES NCC1CCC(CN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(12.03,-2.53,;12.05,-4.06,;10.73,-4.84,;10.75,-6.37,;9.43,-7.16,;8.08,-6.41,;6.75,-7.19,;6.77,-8.73,;5.41,-9.62,;3.96,-8.88,;3.95,-7.24,;2.6,-9.77,;1.15,-9.03,;1.07,-7.41,;-.38,-6.67,;-1.74,-7.56,;-1.65,-9.19,;-.2,-9.92,;8.07,-9.53,;8.04,-11.05,;9.42,-8.79,;10.74,-9.59,;12.09,-8.85,;13.07,-9.11,;13.73,-10.51,;15.25,-10.32,;15.54,-8.8,;16.85,-8.01,;16.82,-6.48,;15.47,-5.74,;14.16,-6.54,;14.2,-8.06,;8.06,-4.87,;9.39,-4.08,)|
Show InChI InChI=1S/C29H36ClN3O/c30-26(17-22-7-2-1-3-8-22)21-33(20-24-15-13-23(18-31)14-16-24)29(34)12-6-9-25-19-32-28-11-5-4-10-27(25)28/h1-5,7-8,10-11,17,19,23-24,32H,6,9,12-16,18,20-21,31H2/b26-17-
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.30E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC3 receptor expressed in Sf9 cells

Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair