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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 442.6
BDBM50135649

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))
BDBM50135649
PNG
(Benzo[b]thiophene-2-carboxylic acid (3-dimethylami...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C28H30N2OS/c1-29(2)19-10-20-30(28(31)27-21-24-14-7-9-16-26(24)32-27)25-15-8-6-13-23(25)18-17-22-11-4-3-5-12-22/h3-9,11-16,21H,10,17-20H2,1-2H3
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PC sid
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Similars

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))
BDBM50135649
PNG
(Benzo[b]thiophene-2-carboxylic acid (3-dimethylami...)
Show SMILES CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C28H30N2OS/c1-29(2)19-10-20-30(28(31)27-21-24-14-7-9-16-26(24)32-27)25-15-8-6-13-23(25)18-17-22-11-4-3-5-12-22/h3-9,11-16,21H,10,17-20H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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