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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 510.6
BDBM50384227

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))
BDBM50384227
PNG
(CHEMBL2030179)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccn2)cc1
Show InChI InChI=1S/C26H30N4O3S2/c1-29(2)35(32,33)23-13-11-22(12-14-23)28-25(34)30-18-15-21(16-19-30)26(31,20-8-4-3-5-9-20)24-10-6-7-17-27-24/h3-14,17,21,31H,15-16,18-19H2,1-2H3,(H,28,34)
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n/an/a 98n/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