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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM62281'   
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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62281
PNG
(3-hydroxybenzoic acid [2-[1-(2-methoxyethyl)-2,5-d...)
Show SMILES COCCn1c(C)cc(C(=O)COC(=O)c2cccc(O)c2)c1C
Show InChI InChI=1S/C18H21NO5/c1-12-9-16(13(2)19(12)7-8-23-3)17(21)11-24-18(22)14-5-4-6-15(20)10-14/h4-6,9-10,20H,7-8,11H2,1-3H3
PDB
MMDB

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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair