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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 515.7
BDBM50384228

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))
BDBM50384228
PNG
(CHEMBL2030180)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccsc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H29N3O3S3/c1-27(2)34(30,31)23-10-8-22(9-11-23)26-24(32)28-15-12-20(13-16-28)25(29,21-14-17-33-18-21)19-6-4-3-5-7-19/h3-11,14,17-18,20,29H,12-13,15-16H2,1-2H3,(H,26,32)
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Article
PubMed
n/an/a 248n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide Y receptor Y2


Bioorg Med Chem Lett 22: 3916-20 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.107
BindingDB Entry DOI: 10.7270/Q2WH2R15
More data for this
Ligand-Target Pair