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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.6
BDBM50445683

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))
BDBM50445683
PNG
(CHEMBL3104223)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(CC#Cc1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H33N3O/c1-25(35)33-22-16-28-14-15-30(23-31(28)33)34(19-8-13-26-9-4-2-5-10-26)29-17-20-32(21-18-29)24-27-11-6-3-7-12-27/h2-7,9-12,14-15,23,29H,16-22,24H2,1H3
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Similars

Article
PubMed
n/an/a 9.20E+3n/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