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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50036646   
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 (Bee)


(Apis mellifera)
BDBM50066343
PNG
(5-Hydroxy-4-[6-hydroxy-5-((2E,6E)-3,7,11-trimethyl...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=CCC(OC1O)C1=CC(=O)OC1O
Show InChI InChI=1S/C24H34O5/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-13-14-21(28-23(19)26)20-15-22(25)29-24(20)27/h7,9,11,13,15,21,23-24,26-27H,5-6,8,10,12,14H2,1-4H3/b17-9+,18-11+
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n/an/a 500n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibitory activity against bee secretory Phospholipase A2 enzyme


J Med Chem 41: 3232-8 (1998)


Article DOI: 10.1021/jm980027h
BindingDB Entry DOI: 10.7270/Q2ZP46SH
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (human))
BDBM50066343
PNG
(5-Hydroxy-4-[6-hydroxy-5-((2E,6E)-3,7,11-trimethyl...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=CCC(OC1O)C1=CC(=O)OC1O
Show InChI InChI=1S/C24H34O5/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-13-14-21(28-23(19)26)20-15-22(25)29-24(20)27/h7,9,11,13,15,21,23-24,26-27H,5-6,8,10,12,14H2,1-4H3/b17-9+,18-11+
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n/an/a 900n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibitory activity against human synovial recombinant Phospholipase enzyme


J Med Chem 41: 3232-8 (1998)


Article DOI: 10.1021/jm980027h
BindingDB Entry DOI: 10.7270/Q2ZP46SH
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50066342
PNG
(5-Hydroxy-4-[5-((2E,6E)-3,7,11-trimethyl-dodeca-2,...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=CCC(OC1)C1=CC(=O)OC1O
Show InChI InChI=1S/C24H34O4/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-20-13-14-22(27-16-20)21-15-23(25)28-24(21)26/h7,9,11,13,15,22,24,26H,5-6,8,10,12,14,16H2,1-4H3/b18-9+,19-11+
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PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibitory activity against bee secretory Phospholipase A2 enzyme


J Med Chem 41: 3232-8 (1998)


Article DOI: 10.1021/jm980027h
BindingDB Entry DOI: 10.7270/Q2ZP46SH
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (human))
BDBM50250399
PNG
(5-Hydroxy-4-{(R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,...)
Show SMILES C\C(CCC1=C(C)CCCC1(C)C)=C/CCC1=CC[C@@H](O[C@H]1O)C1=CC(=O)O[C@H]1O
Show InChI InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21(29-23(18)27)19-15-22(26)30-24(19)28/h7,11,15,21,23-24,27-28H,5-6,8-10,12-14H2,1-4H3/b16-7+/t21-,23-,24-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibitory activity against human synovial recombinant Phospholipase enzyme


J Med Chem 41: 3232-8 (1998)


Article DOI: 10.1021/jm980027h
BindingDB Entry DOI: 10.7270/Q2ZP46SH
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (human))
BDBM50066342
PNG
(5-Hydroxy-4-[5-((2E,6E)-3,7,11-trimethyl-dodeca-2,...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC1=CCC(OC1)C1=CC(=O)OC1O
Show InChI InChI=1S/C24H34O4/c1-17(2)7-5-8-18(3)9-6-10-19(4)11-12-20-13-14-22(27-16-20)21-15-23(25)28-24(21)26/h7,9,11,13,15,22,24,26H,5-6,8,10,12,14,16H2,1-4H3/b18-9+,19-11+
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibitory activity against human synovial recombinant Phospholipase enzyme


J Med Chem 41: 3232-8 (1998)


Article DOI: 10.1021/jm980027h
BindingDB Entry DOI: 10.7270/Q2ZP46SH
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50250399
PNG
(5-Hydroxy-4-{(R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,...)
Show SMILES C\C(CCC1=C(C)CCCC1(C)C)=C/CCC1=CC[C@@H](O[C@H]1O)C1=CC(=O)O[C@H]1O
Show InChI InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21(29-23(18)27)19-15-22(26)30-24(19)28/h7,11,15,21,23-24,27-28H,5-6,8-10,12-14H2,1-4H3/b16-7+/t21-,23-,24-/m1/s1
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PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibitory activity against bee secretory Phospholipase A2 enzyme


J Med Chem 41: 3232-8 (1998)


Article DOI: 10.1021/jm980027h
BindingDB Entry DOI: 10.7270/Q2ZP46SH
More data for this
Ligand-Target Pair