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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
BDBM50445627

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))
BDBM50445627
PNG
(CHEMBL3104189)
Show SMILES CCN(CC)C(=O)C(N1CCN(CC1)c1ccc(cc1F)-c1ncc(CC)o1)c1ccccc1
Show InChI InChI=1S/C27H33FN4O2/c1-4-22-19-29-26(34-22)21-12-13-24(23(28)18-21)31-14-16-32(17-15-31)25(20-10-8-7-9-11-20)27(33)30(5-2)6-3/h7-13,18-19,25H,4-6,14-17H2,1-3H3
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PC cid
PC sid
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Article
PubMed
n/an/a 460n/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