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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.5
BDBM50445661

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))
BDBM50445661
PNG
(CHEMBL3102871)
Show SMILES CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32FN3O/c1-3-30(4-2)28(33)27(23-13-9-6-10-14-23)32-19-17-31(18-20-32)26-16-15-24(21-25(26)29)22-11-7-5-8-12-22/h5-16,21,27H,3-4,17-20H2,1-2H3
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Article
PubMed
n/an/a 420n/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