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Articleid 50034737

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50073194
PNG
((2-{[2-((S)-Dodecanoylamino)-hexyloxy]-hydroxy-pho...)
Show SMILES CCCCCCCCCCCC(=O)N[C@H](CCCC)COP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C23H49N2O5P/c1-6-8-10-11-12-13-14-15-16-18-23(26)24-22(17-9-7-2)21-30-31(27,28)29-20-19-25(3,4)5/h22H,6-21H2,1-5H3,(H-,24,26,27,28)/t22-/m1/s1
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PC cid
PC sid
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Similars

Article
n/an/a 5.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity of compound against Phospholipase A2 (PLA2)


Bioorg Med Chem Lett 3: 2703-2706 (1993)


Article DOI: 10.1016/S0960-894X(01)80746-0
BindingDB Entry DOI: 10.7270/Q22Z1616
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50073197
PNG
(CHEMBL116362 | {2-[((R)-3-Dodecanoyl-2-oxo-oxazoli...)
Show SMILES CCCCCCCCCCCC(=O)N1[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)COC1=O
Show InChI InChI=1S/C21H41N2O7P/c1-5-6-7-8-9-10-11-12-13-14-20(24)22-19(17-28-21(22)25)18-30-31(26,27)29-16-15-23(2,3)4/h19H,5-18H2,1-4H3/t19-/m1/s1
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PC cid
PC sid
UniChem
Article
n/an/a 3.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity of compound against Phospholipase A2 (PLA2)


Bioorg Med Chem Lett 3: 2703-2706 (1993)


Article DOI: 10.1016/S0960-894X(01)80746-0
BindingDB Entry DOI: 10.7270/Q22Z1616
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%