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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 2' and Ligand = 'BDBM50164249'   
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
Melanin-concentrating hormone receptor 2


(Homo sapiens (Human))
BDBM50164249
PNG
(1-[4-(3-Cyano-phenyl)-4-methyl-cyclohexyl]-3-(4-fl...)
Show SMILES C[C@@]1(CC[C@@H](CC1)N(CCN1CC[C@@H](O)C1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)c1cccc(c1)C#N |wU:4.7,13.14,1.0,(-1.35,-6.17,;-1.35,-4.63,;,-5.4,;1.33,-4.63,;1.33,-3.09,;,-2.32,;-1.35,-3.09,;2.67,-2.31,;4.01,-3.08,;4.01,-4.63,;5.34,-5.4,;6.68,-4.63,;7.82,-5.67,;7.19,-7.05,;7.96,-8.41,;5.67,-6.91,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,)|
Show InChI InChI=1S/C28H32F4N4O2/c1-27(20-4-2-3-19(15-20)17-33)10-7-22(8-11-27)36(14-13-35-12-9-23(37)18-35)26(38)34-21-5-6-25(29)24(16-21)28(30,31)32/h2-6,15-16,22-23,37H,7-14,18H2,1H3,(H,34,38)/t22-,23-,27-/m1/s1
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PC cid
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Similars

Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant for human Melanin concentrating hormone receptor 2


J Med Chem 48: 2274-7 (2005)


Article DOI: 10.1021/jm049035q
BindingDB Entry DOI: 10.7270/Q2GH9HG1
More data for this
Ligand-Target Pair