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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospholipase A2' and Ligand = 'BDBM80900'   
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
Phospholipase A2


(Homo sapiens (Human))
BDBM80900
PNG
(2-(2-Chloro-benzylsulfanyl)-3-ethyl-6,7,8,9-tetrah...)
Show SMILES CCn1c(SCc2ccccc2Cl)nc2nc3CCCCc3cc2c1=O
Show InChI InChI=1S/C20H20ClN3OS/c1-2-24-19(25)15-11-13-7-4-6-10-17(13)22-18(15)23-20(24)26-12-14-8-3-5-9-16(14)21/h3,5,8-9,11H,2,4,6-7,10,12H2,1H3
PDB
MMDB

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PCBioAssay
n/an/a 4.98E+3n/an/an/an/an/an/a



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 (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair