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PubMed code 1501221

Compile data set for download or QSAR
Found 18 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, major isoenzyme


(Sus scrofa (pig))
BDBM50004502
PNG
(CHEMBL101972 | Phosphoric acid 2-hexadecanoylamino...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCO)CC(C)C
Show InChI InChI=1S/C24H50NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-23(20-22(2)3)21-31-32(28,29)30-19-18-26/h22-23,26H,4-21H2,1-3H3,(H,25,27)(H,28,29)/t23-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004495
PNG
(CHEMBL101015 | Hexadecanoic acid 3-[hydroxy-(2-hyd...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCO)NC(=O)CCCCCCCCCCCCC
Show InChI InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(39)42-31-33(32-44-45(40,41)43-30-29-37)36-34(38)27-25-23-21-19-17-14-12-10-8-6-4-2/h33,37H,3-32H2,1-2H3,(H,36,38)(H,40,41)
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n/an/a 30n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004499
PNG
((R)-O-(2-Hexadecanamidoisohexyl) phosphocholine | ...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C
Show InChI InChI=1S/C27H57N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26(23-25(2)3)24-34-35(31,32)33-22-21-29(4,5)6/h25-26H,7-24H2,1-6H3,(H-,28,30,31,32)/t26-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004504
PNG
((R)-O-(2-Hexadecanamidopropyl] phosphocholine | CH...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](C)COP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C24H51N2O5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)25-23(2)22-31-32(28,29)30-21-20-26(3,4)5/h23H,6-22H2,1-5H3,(H-,25,27,28,29)/t23-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004502
PNG
(CHEMBL101972 | Phosphoric acid 2-hexadecanoylamino...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCO)CC(C)C
Show InChI InChI=1S/C24H50NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-23(20-22(2)3)21-31-32(28,29)30-19-18-26/h22-23,26H,4-21H2,1-3H3,(H,25,27)(H,28,29)/t23-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycholate-phospholipid mixed micelle assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004495
PNG
(CHEMBL101015 | Hexadecanoic acid 3-[hydroxy-(2-hyd...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCO)NC(=O)CCCCCCCCCCCCC
Show InChI InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(39)42-31-33(32-44-45(40,41)43-30-29-37)36-34(38)27-25-23-21-19-17-14-12-10-8-6-4-2/h33,37H,3-32H2,1-2H3,(H,36,38)(H,40,41)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycholate-phospholipid mixed micelle assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004493
PNG
(CHEMBL101890 | O-(2-hexadecanamidoethyl) phosphoch...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)24-19-21-29-31(27,28)30-22-20-25(2,3)4/h5-22H2,1-4H3,(H-,24,26,27,28)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004505
PNG
((S)-O-(2-Hexadecanamidoisohexyl) phosphocholine | ...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C
Show InChI InChI=1S/C27H57N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26(23-25(2)3)24-34-35(31,32)33-22-21-29(4,5)6/h25-26H,7-24H2,1-6H3,(H-,28,30,31,32)/t26-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004500
PNG
(CHEMBL319067 | Phosphoric acid mono-(2-hexadecanoy...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccccc1
Show InChI InChI=1S/C25H44NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(27)26-24(22-31-32(28,29)30)21-23-18-15-14-16-19-23/h14-16,18-19,24H,2-13,17,20-22H2,1H3,(H,26,27)(H2,28,29,30)/t24-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004501
PNG
((E)-(R)-O-(2-Dec-3-enamidoisohexyl) phosphocholine...)
Show SMILES CCCCC\C=C/CCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C
Show InChI InChI=1S/C21H43N2O5P/c1-7-8-9-10-11-12-13-14-21(24)22-20(17-19(2)3)18-28-29(25,26)27-16-15-23(4,5)6/h11-12,19-20H,7-10,13-18H2,1-6H3,(H-,22,24,25,26)/b12-11-/t20-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004498
PNG
(CHEMBL99161 | O-[2-(2-Naphthalenecarboxamido)ethyl...)
Show SMILES C[N+](C)(C)CCOP([O-])(=O)OCCNC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H25N2O5P/c1-20(2,3)11-13-25-26(22,23)24-12-10-19-18(21)17-9-8-15-6-4-5-7-16(15)14-17/h4-9,14H,10-13H2,1-3H3,(H-,19,21,22,23)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004496
PNG
(CHEMBL318193 | Phosphoric acid mono-(2-hexadecanoy...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)CC(C)C
Show InChI InChI=1S/C22H46NO5P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)23-21(18-20(2)3)19-28-29(25,26)27/h20-21H,4-19H2,1-3H3,(H,23,24)(H2,25,26,27)/t21-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004497
PNG
(CHEMBL330205 | Phosphoric acid 2-trimethylamino-et...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC
Show InChI InChI=1S/C42H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-48-39-41(40-50-51(46,47)49-38-36-44(3,4)5)43-42(45)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3,(H-,43,45,46,47)/t41-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycholate-phospholipid mixed micelle assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004499
PNG
((R)-O-(2-Hexadecanamidoisohexyl) phosphocholine | ...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C
Show InChI InChI=1S/C27H57N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26(23-25(2)3)24-34-35(31,32)33-22-21-29(4,5)6/h25-26H,7-24H2,1-6H3,(H-,28,30,31,32)/t26-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycholate-phospholipid mixed micelle assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004494
PNG
((R)-O-[2-(2-Naphthaleneacetamido)isohexyl] phospho...)
Show SMILES CC(C)C[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C23H35N2O5P/c1-18(2)14-22(17-30-31(27,28)29-13-12-25(3,4)5)24-23(26)16-19-10-11-20-8-6-7-9-21(20)15-19/h6-11,15,18,22H,12-14,16-17H2,1-5H3,(H-,24,26,27,28)/t22-/m1/s1
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n/an/a 1.60E+5n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004504
PNG
((R)-O-(2-Hexadecanamidopropyl] phosphocholine | CH...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](C)COP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C24H51N2O5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)25-23(2)22-31-32(28,29)30-21-20-26(3,4)5/h23H,6-22H2,1-5H3,(H-,25,27,28,29)/t23-/m1/s1
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n/an/a 1.89E+5n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycholate-phospholipid mixed micelle assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004493
PNG
(CHEMBL101890 | O-(2-hexadecanamidoethyl) phosphoch...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)24-19-21-29-31(27,28)30-22-20-25(2,3)4/h5-22H2,1-4H3,(H-,24,26,27,28)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycholate-phospholipid mixed micelle assay


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004503
PNG
(CHEMBL99160 | O-[2-(2-Naphthaleneacetamido)ethyl] ...)
Show SMILES C[N+](C)(C)CCOP([O-])(=O)OCCNC(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C19H27N2O5P/c1-21(2,3)11-13-26-27(23,24)25-12-10-20-19(22)15-16-8-9-17-6-4-5-7-18(17)14-16/h4-9,14H,10-13,15H2,1-3H3,(H-,20,22,23,24)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%