BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 457.5
BDBM50135644

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))
BDBM50135644
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzoylamin...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C27H27N3O2S/c1-29(2)17-10-18-30(27(32)25-19-21-13-6-9-16-24(21)33-25)23-15-8-7-14-22(23)28-26(31)20-11-4-3-5-12-20/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
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))
BDBM50135644
PNG
(Benzo[b]thiophene-2-carboxylic acid (2-benzoylamin...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C27H27N3O2S/c1-29(2)17-10-18-30(27(32)25-19-21-13-6-9-16-24(21)33-25)23-15-8-7-14-22(23)28-26(31)20-11-4-3-5-12-20/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,28,31)
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