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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 464.5
BDBM50445652

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))
BDBM50445652
PNG
(CHEMBL3104177)
Show SMILES CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c2cc(C)no2)c2ccccc2)c(F)c1
Show InChI InChI=1S/C27H33FN4O2/c1-4-20(5-2)27(33)29-22-11-12-24(23(28)18-22)31-13-15-32(16-14-31)26(21-9-7-6-8-10-21)25-17-19(3)30-34-25/h6-12,17-18,20,26H,4-5,13-16H2,1-3H3,(H,29,33)
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PC sid
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n/an/a 38n/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