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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 475.5
BDBM50445648

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50445648
PNG
(CHEMBL3104181)
Show SMILES CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2ncco2)c2cccc(F)c2)c(c1)C#N
Show InChI InChI=1S/C27H30FN5O2/c1-3-19(4-2)26(34)31-23-8-9-24(21(17-23)18-29)32-11-13-33(14-12-32)25(27-30-10-15-35-27)20-6-5-7-22(28)16-20/h5-10,15-17,19,25H,3-4,11-14H2,1-2H3,(H,31,34)
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n/an/a 7n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY2 receptor


Bioorg Med Chem Lett 24: 430-41 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ
More data for this
Ligand-Target Pair