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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 453.5
BDBM50445651

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))
BDBM50445651
PNG
(CHEMBL3104178)
Show SMILES CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(C2CCOC2)c2ccccc2)c(F)c1
Show InChI InChI=1S/C27H36FN3O2/c1-3-20(4-2)27(32)29-23-10-11-25(24(28)18-23)30-13-15-31(16-14-30)26(22-12-17-33-19-22)21-8-6-5-7-9-21/h5-11,18,20,22,26H,3-4,12-17,19H2,1-2H3,(H,29,32)
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n/an/a 34n/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