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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 527.6
BDBM50384230

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))
BDBM50384230
PNG
(CHEMBL2030183)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H30FN3O3S2/c1-30(2)36(33,34)25-14-12-24(13-15-25)29-26(35)31-18-16-22(17-19-31)27(32,20-6-4-3-5-7-20)21-8-10-23(28)11-9-21/h3-15,22,32H,16-19H2,1-2H3,(H,29,35)
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Article
PubMed
n/an/a 89n/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