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Articleid 50034880

Compile data set for download or QSAR
Found 6 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
Group IID secretory phospholipase A2


(Homo sapiens)
BDBM50289465
PNG
({(R)-2-[(2-Amino-ethoxy)-hydroxy-phosphoryl]-1-oct...)
Show SMILES CCCCCCCCOC[C@H](CP([O-])(=O)OCCN)P([O-])(=O)CCCCCCC
Show InChI InChI=1S/C20H45NO6P2/c1-3-5-7-9-10-12-15-26-18-20(19-29(24,25)27-16-14-21)28(22,23)17-13-11-8-6-4-2/h20H,3-19,21H2,1-2H3,(H,22,23)(H,24,25)/p-2/t20-/m1/s1
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Article
n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibitory activity against Secretory phospholipase A 2 (s-PLA2)


Bioorg Med Chem Lett 7: 1421-1426 (1997)


Article DOI: 10.1016/S0960-894X(97)00246-1
BindingDB Entry DOI: 10.7270/Q2639Q69
More data for this
Ligand-Target Pair
Group IID secretory phospholipase A2


(Homo sapiens)
BDBM50289466
PNG
(4-Heptyloxy-3-(3,3,3-trifluoro-2-oxo-propyl)-benzo...)
Show SMILES CCCCCCCOc1ccc(cc1CC(=O)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C17H21F3O4/c1-2-3-4-5-6-9-24-14-8-7-12(16(22)23)10-13(14)11-15(21)17(18,19)20/h7-8,10H,2-6,9,11H2,1H3,(H,22,23)
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Article
n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibitory activity against Secretory phospholipase A 2 (s-PLA2)


Bioorg Med Chem Lett 7: 1421-1426 (1997)


Article DOI: 10.1016/S0960-894X(97)00246-1
BindingDB Entry DOI: 10.7270/Q2639Q69
More data for this
Ligand-Target Pair
Group IID secretory phospholipase A2


(Homo sapiens)
BDBM50289469
PNG
(8-(2,2,2-Trifluoro-acetyl)-naphthalene-2-carboxyli...)
Show SMILES OC(=O)c1ccc2cccc(C(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C13H7F3O3/c14-13(15,16)11(17)9-3-1-2-7-4-5-8(12(18)19)6-10(7)9/h1-6H,(H,18,19)
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibitory activity against Secretory phospholipase A 2 (s-PLA2)


Bioorg Med Chem Lett 7: 1421-1426 (1997)


Article DOI: 10.1016/S0960-894X(97)00246-1
BindingDB Entry DOI: 10.7270/Q2639Q69
More data for this
Ligand-Target Pair
Group IID secretory phospholipase A2


(Homo sapiens)
BDBM50289467
PNG
(8-(Hydroxy-octadecyloxy-phosphoryl)-naphthalene-2-...)
Show SMILES CCCCCCCCCCCCCCCCCCOP(O)(=O)c1cccc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C29H45O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-34-35(32,33)28-20-18-19-25-21-22-26(29(30)31)24-27(25)28/h18-22,24H,2-17,23H2,1H3,(H,30,31)(H,32,33)
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Article
n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibitory activity against secretory-phospholipase A2 (s-PLA2)


Bioorg Med Chem Lett 7: 1421-1426 (1997)


Article DOI: 10.1016/S0960-894X(97)00246-1
BindingDB Entry DOI: 10.7270/Q2639Q69
More data for this
Ligand-Target Pair
Group IID secretory phospholipase A2


(Homo sapiens)
BDBM50289470
PNG
((E)-3-[4-Benzyloxy-2-(decyloxy-hydroxy-phosphoryl)...)
Show SMILES CCCCCCCCCCOP(O)(=O)c1cc(OCc2ccccc2)ccc1\C=C\C(O)=O
Show InChI InChI=1S/C26H35O6P/c1-2-3-4-5-6-7-8-12-19-32-33(29,30)25-20-24(17-15-23(25)16-18-26(27)28)31-21-22-13-10-9-11-14-22/h9-11,13-18,20H,2-8,12,19,21H2,1H3,(H,27,28)(H,29,30)/b18-16+
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Article
n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibitory activity against Secretory phospholipase A 2 (s-PLA2)


Bioorg Med Chem Lett 7: 1421-1426 (1997)


Article DOI: 10.1016/S0960-894X(97)00246-1
BindingDB Entry DOI: 10.7270/Q2639Q69
More data for this
Ligand-Target Pair
Group IID secretory phospholipase A2


(Homo sapiens)
BDBM50289468
PNG
(8-(Hydroxy-octyloxy-phosphoryl)-naphthalene-2-carb...)
Show SMILES CCCCCCCCOP(O)(=O)c1cccc2ccc(cc12)C(O)=O
Show InChI InChI=1S/C19H25O5P/c1-2-3-4-5-6-7-13-24-25(22,23)18-10-8-9-15-11-12-16(19(20)21)14-17(15)18/h8-12,14H,2-7,13H2,1H3,(H,20,21)(H,22,23)
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Article
n/an/a>2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibitory activity against Secretory phospholipase A 2 (s-PLA2)


Bioorg Med Chem Lett 7: 1421-1426 (1997)


Article DOI: 10.1016/S0960-894X(97)00246-1
BindingDB Entry DOI: 10.7270/Q2639Q69
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%