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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM61778'   
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))
BDBM61778
PNG
(2-benzyl-3-[4-(diethylamino)anilino]-3-keto-propio...)
Show SMILES CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(cc1)N(CC)CC
Show InChI InChI=1S/C22H28N2O3/c1-4-24(5-2)19-14-12-18(13-15-19)23-21(25)20(22(26)27-6-3)16-17-10-8-7-9-11-17/h7-15,20H,4-6,16H2,1-3H3,(H,23,25)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.24E+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/Q28P5XX5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61778
PNG
(2-benzyl-3-[4-(diethylamino)anilino]-3-keto-propio...)
Show SMILES CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(cc1)N(CC)CC
Show InChI InChI=1S/C22H28N2O3/c1-4-24(5-2)19-14-12-18(13-15-19)23-21(25)20(22(26)27-6-3)16-17-10-8-7-9-11-17/h7-15,20H,4-6,16H2,1-3H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.39E+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/Q2FF3QS8
More data for this
Ligand-Target Pair