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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'hitchin' and Initial = 'b'   
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
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040461
PNG
((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...)
Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040458
PNG
((S)-4-((S)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50040461
PNG
((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...)
Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040464
PNG
((S)-3-((S)-(E)-Dec-3-enoylamino)-4-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc2ccccc2c1)CC(O)=O
Show InChI InChI=1S/C24H31NO3S/c1-2-3-4-5-6-7-8-13-23(26)25-21(17-24(27)28)18-29-22-15-14-19-11-9-10-12-20(19)16-22/h7-12,14-16,21H,2-6,13,17-18H2,1H3,(H,25,26)(H,27,28)/b8-7+/t21-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040461
PNG
((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...)
Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
Compound was tested for in vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040455
PNG
((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-(E)-dec-3-e...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc(Cc2ccccc2)cc1)CC(O)=O
Show InChI InChI=1S/C27H35NO3S/c1-2-3-4-5-6-7-11-14-26(29)28-24(20-27(30)31)21-32-25-17-15-23(16-18-25)19-22-12-9-8-10-13-22/h7-13,15-18,24H,2-6,14,19-21H2,1H3,(H,28,29)(H,30,31)/b11-7+/t24-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50040466
PNG
((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-7-phenyl-he...)
Show SMILES OC(=O)C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C30H35NO3S/c32-29(16-10-2-1-5-11-24-12-6-3-7-13-24)31-27(22-30(33)34)23-35-28-19-17-26(18-20-28)21-25-14-8-4-9-15-25/h3-4,6-9,12-15,17-20,27H,1-2,5,10-11,16,21-23H2,(H,31,32)(H,33,34)/t27-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040465
PNG
((S)-3-((S)-(E)-Dec-3-enoylamino)-4-phenylsulfanyl-...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccccc1)CC(O)=O
Show InChI InChI=1S/C20H29NO3S/c1-2-3-4-5-6-7-11-14-19(22)21-17(15-20(23)24)16-25-18-12-9-8-10-13-18/h7-13,17H,2-6,14-16H2,1H3,(H,21,22)(H,23,24)/b11-7+/t17-/m0/s1
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n/an/a 95n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040455
PNG
((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-(E)-dec-3-e...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc(Cc2ccccc2)cc1)CC(O)=O
Show InChI InChI=1S/C27H35NO3S/c1-2-3-4-5-6-7-11-14-26(29)28-24(20-27(30)31)21-32-25-17-15-23(16-18-25)19-22-12-9-8-10-13-22/h7-13,15-18,24H,2-6,14,19-21H2,1H3,(H,28,29)(H,30,31)/b11-7+/t24-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040456
PNG
((R)-3-((S)-Hexadecanoylamino)-5-methyl-hexanoic ac...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](CC(C)C)CC(O)=O
Show InChI InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)24-21(18-20(2)3)19-23(26)27/h20-21H,4-19H2,1-3H3,(H,24,25)(H,26,27)/t21-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040463
PNG
((S)-4-((S)-Hexadecanoylamino)-6-methyl-heptanoic a...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)CC(C)C
Show InChI InChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)25-22(20-21(2)3)18-19-24(27)28/h21-22H,4-20H2,1-3H3,(H,25,26)(H,27,28)/t22-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
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 300n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040462
PNG
((R)-3-((S)-(E)-Dec-3-enoylamino)-5-methyl-hexanoic...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CC(C)C)CC(O)=O
Show InChI InChI=1S/C17H31NO3/c1-4-5-6-7-8-9-10-11-16(19)18-15(12-14(2)3)13-17(20)21/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,18,19)(H,20,21)/b10-9+/t15-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040458
PNG
((S)-4-((S)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040464
PNG
((S)-3-((S)-(E)-Dec-3-enoylamino)-4-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc2ccccc2c1)CC(O)=O
Show InChI InChI=1S/C24H31NO3S/c1-2-3-4-5-6-7-8-13-23(26)25-21(17-24(27)28)18-29-22-15-14-19-11-9-10-12-20(19)16-22/h7-12,14-16,21H,2-6,13,17-18H2,1H3,(H,25,26)(H,27,28)/b8-7+/t21-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040467
PNG
((S)-5-((S)-Hexadecanoylamino)-7-methyl-octanoic ac...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCC(O)=O)CC(C)C
Show InChI InChI=1S/C25H49NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(27)26-23(21-22(2)3)18-17-20-25(28)29/h22-23H,4-21H2,1-3H3,(H,26,27)(H,28,29)/t23-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040459
PNG
((R)-3-((S)-Decanoylamino)-5-methyl-hexanoic acid |...)
Show SMILES CCCCCCCCCC(=O)N[C@H](CC(C)C)CC(O)=O
Show InChI InChI=1S/C17H33NO3/c1-4-5-6-7-8-9-10-11-16(19)18-15(12-14(2)3)13-17(20)21/h14-15H,4-13H2,1-3H3,(H,18,19)(H,20,21)/t15-/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 activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50040458
PNG
((S)-4-((S)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m0/s1
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n/an/a 1.85E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040465
PNG
((S)-3-((S)-(E)-Dec-3-enoylamino)-4-phenylsulfanyl-...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccccc1)CC(O)=O
Show InChI InChI=1S/C20H29NO3S/c1-2-3-4-5-6-7-11-14-19(22)21-17(15-20(23)24)16-25-18-12-9-8-10-13-18/h7-13,17H,2-6,14-16H2,1H3,(H,21,22)(H,23,24)/b11-7+/t17-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50040455
PNG
((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-(E)-dec-3-e...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc(Cc2ccccc2)cc1)CC(O)=O
Show InChI InChI=1S/C27H35NO3S/c1-2-3-4-5-6-7-11-14-26(29)28-24(20-27(30)31)21-32-25-17-15-23(16-18-25)19-22-12-9-8-10-13-22/h7-13,15-18,24H,2-6,14,19-21H2,1H3,(H,28,29)(H,30,31)/b11-7+/t24-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040463
PNG
((S)-4-((S)-Hexadecanoylamino)-6-methyl-heptanoic a...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)CC(C)C
Show InChI InChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)25-22(20-21(2)3)18-19-24(27)28/h21-22H,4-20H2,1-3H3,(H,25,26)(H,27,28)/t22-/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 activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040456
PNG
((R)-3-((S)-Hexadecanoylamino)-5-methyl-hexanoic ac...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](CC(C)C)CC(O)=O
Show InChI InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)24-21(18-20(2)3)19-23(26)27/h20-21H,4-19H2,1-3H3,(H,24,25)(H,26,27)/t21-/m1/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040462
PNG
((R)-3-((S)-(E)-Dec-3-enoylamino)-5-methyl-hexanoic...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CC(C)C)CC(O)=O
Show InChI InChI=1S/C17H31NO3/c1-4-5-6-7-8-9-10-11-16(19)18-15(12-14(2)3)13-17(20)21/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,18,19)(H,20,21)/b10-9+/t15-/m1/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50040460
PNG
((R)-4-((R)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CCC(O)=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040459
PNG
((R)-3-((S)-Decanoylamino)-5-methyl-hexanoic acid |...)
Show SMILES CCCCCCCCCC(=O)N[C@H](CC(C)C)CC(O)=O
Show InChI InChI=1S/C17H33NO3/c1-4-5-6-7-8-9-10-11-16(19)18-15(12-14(2)3)13-17(20)21/h14-15H,4-13H2,1-3H3,(H,18,19)(H,20,21)/t15-/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 activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040457
PNG
((R)-2-((S)-Hexadecanoylamino)-4-methyl-pentanoic a...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20(22(25)26)18-19(2)3/h19-20H,4-18H2,1-3H3,(H,23,24)(H,25,26)/t20-/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 activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040467
PNG
((S)-5-((S)-Hexadecanoylamino)-7-methyl-octanoic ac...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCC(O)=O)CC(C)C
Show InChI InChI=1S/C25H49NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(27)26-23(21-22(2)3)18-17-20-25(28)29/h22-23H,4-21H2,1-3H3,(H,26,27)(H,28,29)/t23-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040457
PNG
((R)-2-((S)-Hexadecanoylamino)-4-methyl-pentanoic a...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20(22(25)26)18-19(2)3/h19-20H,4-18H2,1-3H3,(H,23,24)(H,25,26)/t20-/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 activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
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 activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50040460
PNG
((R)-4-((R)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CCC(O)=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227]


(Sus scrofa)
BDBM50040460
PNG
((R)-4-((R)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CCC(O)=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m1/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair