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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 535.6
BDBM50384231

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))
BDBM50384231
PNG
(CHEMBL2030185)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)cc1
Show InChI InChI=1S/C27H29N5O3S2/c1-30(2)37(34,35)20-13-11-19(12-14-20)28-27(36)32-17-15-31(16-18-32)25-21-7-3-4-8-22(21)26(33)29-24-10-6-5-9-23(24)25/h3-14,25H,15-18H2,1-2H3,(H,28,36)(H,29,33)
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n/an/a 67n/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