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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 338.8
BDBM42490
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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))
BDBM42490
PNG
(5-[2-(4-Chloro-phenoxy)-ethylsulfanyl]-1-cyclohexy...)
Show SMILES Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
Show InChI InChI=1S/C15H19ClN4OS/c16-12-6-8-14(9-7-12)21-10-11-22-15-17-18-19-20(15)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair