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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 513.9
BDBM61815

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))
BDBM61815
PNG
(MLS000540255 | N-[(4-chlorobenzylidene)amino]-1'-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCC2(CC1)OCC1O[N-][C+](C1CO2)C(=O)N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN5O6/c25-17-3-1-16(2-4-17)13-26-27-23(31)22-20-14-34-24(35-15-21(20)36-28-22)9-11-29(12-10-24)18-5-7-19(8-6-18)30(32)33/h1-8,13,20-21H,9-12,14-15H2,(H,27,31)/b26-13+
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM61815
PNG
(MLS000540255 | N-[(4-chlorobenzylidene)amino]-1'-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCC2(CC1)OCC1O[N-][C+](C1CO2)C(=O)N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN5O6/c25-17-3-1-16(2-4-17)13-26-27-23(31)22-20-14-34-24(35-15-21(20)36-28-22)9-11-29(12-10-24)18-5-7-19(8-6-18)30(32)33/h1-8,13,20-21H,9-12,14-15H2,(H,27,31)/b26-13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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