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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 493.6
BDBM50140473

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))
BDBM50140473
PNG
((E)-4-Phenyl-but-3-enoic acid (1-acetyl-2,3-dihydr...)
Show SMILES CC(=O)N1CCc2ccc(cc12)N(C1CCN(Cc2ccccc2)CC1)C(=O)C\C=C\c1ccccc1
Show InChI InChI=1S/C32H35N3O2/c1-25(36)34-22-17-28-15-16-30(23-31(28)34)35(32(37)14-8-13-26-9-4-2-5-10-26)29-18-20-33(21-19-29)24-27-11-6-3-7-12-27/h2-13,15-16,23,29H,14,17-22,24H2,1H3/b13-8+
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Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards the NPY Y2 receptor


Bioorg Med Chem Lett 14: 1239-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.057
BindingDB Entry DOI: 10.7270/Q2M044VK
More data for this
Ligand-Target Pair