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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 444.5
BDBM50135639

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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))
BDBM50135639
PNG
(Benzofuran-2-carboxylic acid (2-benzylsulfanyl-phe...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2o1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2O2S/c1-28(2)17-10-18-29(27(30)25-19-22-13-6-8-15-24(22)31-25)23-14-7-9-16-26(23)32-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from NPYY2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 430-41 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50135639
PNG
(Benzofuran-2-carboxylic acid (2-benzylsulfanyl-phe...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2o1)c1ccccc1SCc1ccccc1
Show InChI InChI=1S/C27H28N2O2S/c1-28(2)17-10-18-29(27(30)25-19-22-13-6-8-15-24(22)31-25)23-14-7-9-16-26(23)32-20-21-11-4-3-5-12-21/h3-9,11-16,19H,10,17-18,20H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]-PYY as radioligand


Bioorg Med Chem Lett 13: 2883-5 (2003)


BindingDB Entry DOI: 10.7270/Q2F47NJQ
More data for this
Ligand-Target Pair