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PubMed code 10698455

Compile data set for download or QSAR
Found 13 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 VII phospholipase A2


(Sus scrofa)
BDBM50085497
PNG
(2-(ethylamino)hexadecan-1-ol | 2-Ethylamino-hexade...)
Show SMILES CCCCCCCCCCCCCCC(CO)NCC
Show InChI InChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(17-20)19-4-2/h18-20H,3-17H2,1-2H3
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Inhibition of secretory PLA2 activity in porcine pancreas using [3H]-oleate labelled membranes at a concentration of 10 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Group VII phospholipase A2


(Sus scrofa)
BDBM50085496
PNG
(CHEMBL89162 | N*1*,N*1*-Diethyl-hexadecane-1,2-dia...)
Show SMILES CCCCCCCCCCCCCCC(N)CN(CC)CC
Show InChI InChI=1S/C20H44N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(21)19-22(5-2)6-3/h20H,4-19,21H2,1-3H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Inhibition of secretory PLA2 activity in porcine pancreas using [3H]-oleate labelled membranes at a concentration of 10 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (human))
BDBM50085497
PNG
(2-(ethylamino)hexadecan-1-ol | 2-Ethylamino-hexade...)
Show SMILES CCCCCCCCCCCCCCC(CO)NCC
Show InChI InChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(17-20)19-4-2/h18-20H,3-17H2,1-2H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Inhibition of secretory PLA2 activity in human recombinant synovial enzyme using [3H]-oleate labelled membranes at a concentration of 10 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (human))
BDBM50085496
PNG
(CHEMBL89162 | N*1*,N*1*-Diethyl-hexadecane-1,2-dia...)
Show SMILES CCCCCCCCCCCCCCC(N)CN(CC)CC
Show InChI InChI=1S/C20H44N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(21)19-22(5-2)6-3/h20H,4-19,21H2,1-3H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Inhibition of secretory PLA2 activity in human recombinant synovial enzyme using [3H]-oleate labelled membranes at a concentration of 10 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Homo sapiens (Human))
BDBM50085497
PNG
(2-(ethylamino)hexadecan-1-ol | 2-Ethylamino-hexade...)
Show SMILES CCCCCCCCCCCCCCC(CO)NCC
Show InChI InChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(17-20)19-4-2/h18-20H,3-17H2,1-2H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Inhibition of secretory PLA2 activity in Naja naja venom enzyme using [3H]-oleate labelled membranes at a concentration of 10 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50085497
PNG
(2-(ethylamino)hexadecan-1-ol | 2-Ethylamino-hexade...)
Show SMILES CCCCCCCCCCCCCCC(CO)NCC
Show InChI InChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(17-20)19-4-2/h18-20H,3-17H2,1-2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Inhibition of secretory PLA2 activity in Naja naja venom enzyme using [3H]-oleate labelled membranes at a concentration of 10 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Phospholipase A2 group 1B


(Homo sapiens (Human))
BDBM50085496
PNG
(CHEMBL89162 | N*1*,N*1*-Diethyl-hexadecane-1,2-dia...)
Show SMILES CCCCCCCCCCCCCCC(N)CN(CC)CC
Show InChI InChI=1S/C20H44N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(21)19-22(5-2)6-3/h20H,4-19,21H2,1-3H3
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n/an/a 9.50E+3n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Inhibition of secretory PLA2 activity in bee venom enzyme using [3H]-oleate labelled membranes at a concentration of 10 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Mus musculus)
BDBM50085498
PNG
(4-(1-Benzyloxymethyl-pentadecylcarbamoyl)-butyric ...)
Show SMILES CCCCCCCCCCCCCCC(COCc1ccccc1)NC(=O)CCCC(O)=O
Show InChI InChI=1S/C28H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-26(29-27(30)21-17-22-28(31)32)24-33-23-25-18-14-13-15-19-25/h13-15,18-19,26H,2-12,16-17,20-24H2,1H3,(H,29,30)(H,31,32)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Effect on cytosolic Phospholipase A2 (PLA2) activity at a concentration of 100 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50085496
PNG
(CHEMBL89162 | N*1*,N*1*-Diethyl-hexadecane-1,2-dia...)
Show SMILES CCCCCCCCCCCCCCC(N)CN(CC)CC
Show InChI InChI=1S/C20H44N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(21)19-22(5-2)6-3/h20H,4-19,21H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Inhibition of secretory PLA2 activity in bee venom enzyme using [3H]-oleate labelled membranes at a concentration of 10 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Mus musculus)
BDBM50085494
PNG
(1,1,1-Trifluoro-heptadecan-2-oneor(Palmitoyl trifl...)
Show SMILES CCCCCCCCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C17H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(21)17(18,19)20/h2-15H2,1H3
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n/an/a 1.17E+4n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Effect on cytosolic Phospholipase A2 (PLA2) activity at a concentration of 100 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Mus musculus)
BDBM50085496
PNG
(CHEMBL89162 | N*1*,N*1*-Diethyl-hexadecane-1,2-dia...)
Show SMILES CCCCCCCCCCCCCCC(N)CN(CC)CC
Show InChI InChI=1S/C20H44N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(21)19-22(5-2)6-3/h20H,4-19,21H2,1-3H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Effect on cytosolic Phospholipase A2 (PLA2) activity at a concentration of 100 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Mus musculus)
BDBM50085499
PNG
(4-(1-(benzyloxy)hexadecan-2-ylamino)-4-oxobutanoic...)
Show SMILES CCCCCCCCCCCCCCC(COCc1ccccc1)NC(=O)CCC(O)=O
Show InChI InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(28-26(29)20-21-27(30)31)23-32-22-24-17-14-13-15-18-24/h13-15,17-18,25H,2-12,16,19-23H2,1H3,(H,28,29)(H,30,31)
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n/an/a 6.28E+4n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Effect on cytosolic Phospholipase A2 (PLA2) activity at a concentration of 100 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Mus musculus)
BDBM50085495
PNG
((E)-3-(1-Benzyloxymethyl-pentadecylcarbamoyl)-acry...)
Show SMILES CCCCCCCCCCCCCCC(COCc1ccccc1)NC(=O)\C=C\C(O)=O
Show InChI InChI=1S/C27H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(28-26(29)20-21-27(30)31)23-32-22-24-17-14-13-15-18-24/h13-15,17-18,20-21,25H,2-12,16,19,22-23H2,1H3,(H,28,29)(H,30,31)/b21-20+
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n/an/a 6.95E+4n/an/an/an/an/an/a



Univ. de Valencia

Curated by ChEMBL


Assay Description
Effect on cytosolic Phospholipase A2 (PLA2) activity at a concentration of 100 uM


Bioorg Med Chem Lett 10: 285-8 (2000)


Article DOI: 10.1016/s0960-894x(99)00680-0
BindingDB Entry DOI: 10.7270/Q2ZC8239
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%