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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 508.1
BDBM50384220

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))
BDBM50384220
PNG
(CHEMBL2030163)
Show SMILES CCN(CC)c1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1Cl
Show InChI InChI=1S/C29H34ClN3OS/c1-3-32(4-2)27-16-15-25(21-26(27)30)31-28(35)33-19-17-24(18-20-33)29(34,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-16,21,24,34H,3-4,17-20H2,1-2H3,(H,31,35)
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Article
PubMed
n/an/a 85n/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