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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospholipase A2' and Ligand = 'BDBM21680'   
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))
BDBM21680
PNG
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,1...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
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MMDB

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Article
PubMed
n/an/an/a>1.50E+5n/an/an/an/an/a



University of Delaware

Curated by ChEMBL


Assay Description
Binding affinity to human pancreatic recombinant 1B PLA2 expressed in Escherichia coli by resonance energy transfer assay in presence of trimethyl-am...


J Nat Prod 72: 24-8 (2009)


Article DOI: 10.1021/np8004453
BindingDB Entry DOI: 10.7270/Q2X34XG0
More data for this
Ligand-Target Pair