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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 263.3
BDBM61821
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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))
BDBM61821
PNG
(1-(2-methylphenoxy)-3-(4-methyl-1-piperidinyl)-2-p...)
Show SMILES CC1CCN(CC(O)COc2ccccc2C)CC1
Show InChI InChI=1S/C16H25NO2/c1-13-7-9-17(10-8-13)11-15(18)12-19-16-6-4-3-5-14(16)2/h3-6,13,15,18H,7-12H2,1-2H3
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.18E+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))
BDBM61821
PNG
(1-(2-methylphenoxy)-3-(4-methyl-1-piperidinyl)-2-p...)
Show SMILES CC1CCN(CC(O)COc2ccccc2C)CC1
Show InChI InChI=1S/C16H25NO2/c1-13-7-9-17(10-8-13)11-15(18)12-19-16-6-4-3-5-14(16)2/h3-6,13,15,18H,7-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.33E+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