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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 258.2
BDBM47312
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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 1


(Homo sapiens (Human))
BDBM47312
PNG
(2-[(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)amino]pr...)
Show SMILES CC(C)OC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O
Show InChI InChI=1S/C9H14N4O3S/c1-4(2)16-8(15)5(3)10-6-7(14)11-9(17)13-12-6/h4-5H,1-3H3,(H,10,12)(H2,11,13,14,17)
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KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM47312
PNG
(2-[(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)amino]pr...)
Show SMILES CC(C)OC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O
Show InChI InChI=1S/C9H14N4O3S/c1-4(2)16-8(15)5(3)10-6-7(14)11-9(17)13-12-6/h4-5H,1-3H3,(H,10,12)(H2,11,13,14,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair