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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2 (Bee)'   
Target
(Institution)
LigandTarget
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)
BDBM50269843
PNG
(Bolinaquinone | CHEMBL477692)
Show SMILES COC1=CC(=O)C(=O)C(C[C@@]2(C)CC[C@@]3(C)[C@@H](CCC=C3C)[C@H]2C)C1=O
Show InChI InChI=1S/C22H30O4/c1-13-7-6-8-16-14(2)21(3,9-10-22(13,16)4)12-15-19(24)17(23)11-18(26-5)20(15)25/h7,11,14-16H,6,8-10,12H2,1-5H3/t14-,15?,16+,21-,22-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Università degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of bee venom group 3 secretory phospholipase A2 by liquid scintillation counting


J Nat Prod 64: 612-5 (2001)

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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n/an/a 500n/an/an/an/an/an/a



Muséum National d'Histoire Naturelle

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
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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n/an/a 500n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50259941
PNG
(CHEMBL470339 | Petrosaspongiolide M)
Show SMILES CC(=O)O[C@@H]1O[C@H](C[C@@H]2[C@@H]1CC[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)CCC[C@]12C)C1=CC(=O)OC1O
Show InChI InChI=1S/C27H40O6/c1-15(28)31-24-16-7-8-21-26(4,12-9-20-25(2,3)10-6-11-27(20,21)5)18(16)14-19(32-24)17-13-22(29)33-23(17)30/h13,16,18-21,23-24,30H,6-12,14H2,1-5H3/t16-,18+,19+,20-,21-,23?,24+,26-,27-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Universit£ degli Studi di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Inhibition of bee venom secretory PLA2


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50259951
PNG
(CHEMBL480681 | cacospongionolide)
Show SMILES C[C@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC1=CC[C@@H](OC1)C1=CC(=O)O[C@H]1O
Show InChI InChI=1S/C25H36O4/c1-16-8-12-25-15-23(25,2)10-4-5-20(25)24(16,3)11-9-17-6-7-19(28-14-17)18-13-21(26)29-22(18)27/h6,13,16,19-20,22,27H,4-5,7-12,14-15H2,1-3H3/t16-,19+,20+,22+,23-,24-,25-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of bee venom group3 sPLA2 by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50259952
PNG
(CHEMBL480874 | cacospongionolide E)
Show SMILES C[C@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CCC1=CC[C@@H](OC1)C1=CC(=O)O[C@H]1O
Show InChI InChI=1S/C25H36O4/c1-16-6-5-7-21-24(16,3)12-10-17(2)25(21,4)13-11-18-8-9-20(28-15-18)19-14-22(26)29-23(19)27/h6,8,14,17,20-21,23,27H,5,7,9-13,15H2,1-4H3/t17-,20+,21-,23+,24-,25-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of bee venom group3 sPLA2 at 10 uM by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50323927
PNG
(CHEMBL513747 | Halenaquinone | helenaquinone)
Show SMILES C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C=CC(=O)c3cc21
Show InChI InChI=1S/C20H12O5/c1-20-5-4-16(23)12-8-25-19(17(12)20)18(24)11-6-9-10(7-13(11)20)15(22)3-2-14(9)21/h2-3,6-8H,4-5H2,1H3/t20-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Muséum National d'Histoire Naturelle

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50323927
PNG
(CHEMBL513747 | Halenaquinone | helenaquinone)
Show SMILES C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C=CC(=O)c3cc21
Show InChI InChI=1S/C20H12O5/c1-20-5-4-16(23)12-8-25-19(17(12)20)18(24)11-6-9-10(7-13(11)20)15(22)3-2-14(9)21/h2-3,6-8H,4-5H2,1H3/t20-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
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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n/an/a 7.50E+3n/an/an/an/an/an/a



Università degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of bee venom group 3 secretory phospholipase A2 by liquid scintillation counting


J Nat Prod 64: 612-5 (2001)

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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n/an/a 7.50E+3n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of bee venom group3 sPLA2 by liquid scintillation counting


Citation and Details
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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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


Citation and Details
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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n/an/a 7.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Inhibition of bee venom secretory PLA2


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50336352
PNG
((S)-tert-butyl 2-((5-hydroxy-12b-methyl-3,6,8,11-t...)
Show SMILES CC(C)(C)OC(=O)NCCNC=C1C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3[C@]2(C)CCC1=O
Show InChI InChI=1S/C27H28N2O7/c1-26(2,3)36-25(35)29-10-9-28-13-17-21(32)7-8-27(4)18-12-15-14(19(30)5-6-20(15)31)11-16(18)23(33)24(34)22(17)27/h5-6,11-13,22,28H,7-10H2,1-4H3,(H,29,35)/t22?,27-/m0/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50336350
PNG
((S)-5-hydroxy-12b-methyl-4-((phenethylamino)methyl...)
Show SMILES C[C@@]12CCC(=O)C(=CNCCc3ccccc3)C1C(=O)C(=O)c1cc3C(=O)C=CC(=O)c3cc21
Show InChI InChI=1S/C28H23NO5/c1-28-11-9-24(32)20(15-29-12-10-16-5-3-2-4-6-16)25(28)27(34)26(33)19-13-17-18(14-21(19)28)23(31)8-7-22(17)30/h2-8,13-15,25,29H,9-12H2,1H3/t25?,28-/m0/s1
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n/an/a 1.77E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50336351
PNG
((S)-5-hydroxy-12b-methyl-4-((pentylamino)methylene...)
Show SMILES CCCCCNC=C1C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3[C@]2(C)CCC1=O
Show InChI InChI=1S/C25H25NO5/c1-3-4-5-10-26-13-17-21(29)8-9-25(2)18-12-15-14(19(27)6-7-20(15)28)11-16(18)23(30)24(31)22(17)25/h6-7,11-13,22,26H,3-5,8-10H2,1-2H3/t22?,25-/m0/s1
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n/an/a 2.39E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50336353
PNG
((S)-4-((3,7-dimethylocta-2,6-dienylamino)methylene...)
Show SMILES CC(C)=CCC\C(C)=C\CNC=C1C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3[C@]2(C)CCC1=O
Show InChI InChI=1S/C30H31NO5/c1-17(2)6-5-7-18(3)11-13-31-16-22-26(34)10-12-30(4)23-15-20-19(24(32)8-9-25(20)33)14-21(23)28(35)29(36)27(22)30/h6,8-9,11,14-16,27,31H,5,7,10,12-13H2,1-4H3/b18-11+,22-16?/t27?,30-/m0/s1
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n/an/a 3.44E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50377908
PNG
(CACOSPONGIONOLIDE B)
Show SMILES C[C@@H]1CC[C@@]2(C)[C@@H](CCCC2=C)[C@]1(C)CCC1=CCC(OC1)C1=CC(=O)OC1O
Show InChI InChI=1S/C25H36O4/c1-16-6-5-7-21-24(16,3)12-10-17(2)25(21,4)13-11-18-8-9-20(28-15-18)19-14-22(26)29-23(19)27/h8,14,17,20-21,23,27H,1,5-7,9-13,15H2,2-4H3/t17-,20?,21-,23?,24-,25-/m1/s1
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n/an/a 3.54E+4n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of bee venom group3 sPLA2 at 10 uM by liquid scintillation counting


Citation and Details
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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n/an/a 6.25E+4n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of bee venom group3 sPLA2 at 10 uM by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50336354
PNG
((S)-methyl 2-((5-hydroxy-12b-methyl-3,6,8,11-tetra...)
Show SMILES COC(=O)CNC=C1C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3[C@]2(C)CCC1=O
Show InChI InChI=1S/C23H19NO7/c1-23-6-5-18(27)14(9-24-10-19(28)31-2)20(23)22(30)21(29)13-7-11-12(8-15(13)23)17(26)4-3-16(11)25/h3-4,7-9,20,24H,5-6,10H2,1-2H3/t20?,23-/m0/s1
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n/an/a 7.68E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50259952
PNG
(CHEMBL480874 | cacospongionolide E)
Show SMILES C[C@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CCC1=CC[C@@H](OC1)C1=CC(=O)O[C@H]1O
Show InChI InChI=1S/C25H36O4/c1-16-6-5-7-21-24(16,3)12-10-17(2)25(21,4)13-11-18-8-9-20(28-15-18)19-14-22(26)29-23(19)27/h6,8,14,17,20-21,23,27H,5,7,9-13,15H2,1-4H3/t17-,20+,21-,23+,24-,25-/m0/s1
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n/an/a 9.48E+4n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of bee venom group3 sPLA2 at 10 uM by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50259951
PNG
(CHEMBL480681 | cacospongionolide)
Show SMILES C[C@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC1=CC[C@@H](OC1)C1=CC(=O)O[C@H]1O
Show InChI InChI=1S/C25H36O4/c1-16-8-12-25-15-23(25,2)10-4-5-20(25)24(16,3)11-9-17-6-7-19(28-14-17)18-13-21(26)29-22(18)27/h6,13,16,19-20,22,27H,4-5,7-12,14-15H2,1-3H3/t16-,19+,20+,22+,23-,24-,25-/m0/s1
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n/an/a 9.63E+4n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of bee venom group3 sPLA2 by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50323929
PNG
(3-Ketoadociaquinone B | CHEMBL1214422)
Show SMILES C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21
Show InChI InChI=1S/C22H15NO7S/c1-22-3-2-14(24)12-8-30-20(15(12)22)18(26)11-6-9-10(7-13(11)22)19(27)21-16(17(9)25)23-4-5-31(21,28)29/h6-8,21H,2-5H2,1H3/t21?,22-/m0/s1
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n/an/a 1.05E+5n/an/an/an/an/an/a



Muséum National d'Histoire Naturelle

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50323928
PNG
(3-Ketoadociaquinone A | CHEMBL1214365)
Show SMILES C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C4C(=NCCS4(=O)=O)C(=O)c3cc21
Show InChI InChI=1S/C22H15NO7S/c1-22-3-2-14(24)12-8-30-20(15(12)22)18(26)11-6-9-10(7-13(11)22)17(25)16-21(19(9)27)31(28,29)5-4-23-16/h6-8,21H,2-5H2,1H3/t21?,22-/m0/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Muséum National d'Histoire Naturelle

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50443264
PNG
(CHEMBL3087058)
Show SMILES C\C(CC\C=C(\C)C=C)=C/c1cc(co1)C(O)=O
Show InChI InChI=1S/C15H18O3/c1-4-11(2)6-5-7-12(3)8-14-9-13(10-18-14)15(16)17/h4,6,8-10H,1,5,7H2,2-3H3,(H,16,17)/b11-6-,12-8+
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n/an/a 5.00E+5n/an/an/an/an/an/a



CSIR-IICT

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50323933
PNG
(CHEMBL1214424 | Xestosaprol C methylacetal)
Show SMILES CO[C@]12OC(O)C3=C1[C@@](C)(CCC3=O)c1cc3c(OS(O)(=O)=O)ccc(O)c3cc1C2=O
Show InChI InChI=1S/C21H18O10S/c1-20-6-5-14(23)16-17(20)21(29-2,30-19(16)25)18(24)11-7-9-10(8-12(11)20)15(4-3-13(9)22)31-32(26,27)28/h3-4,7-8,19,22,25H,5-6H2,1-2H3,(H,26,27,28)/t19?,20-,21-/m0/s1
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n/an/a 5.70E+5n/an/an/an/an/an/a



Muséum National d'Histoire Naturelle

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50323930
PNG
(CHEMBL1214423 | Tetrahydrohalenaquinone A)
Show SMILES C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3[C@@H](O)CCC(=O)c3cc21
Show InChI InChI=1S/C20H20O5/c1-20-5-4-16(23)12-8-25-19(17(12)20)18(24)11-6-9-10(7-13(11)20)15(22)3-2-14(9)21/h6-7,12,14,16,21,23H,2-5,8H2,1H3/t12-,14-,16-,20-/m0/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Muséum National d'Histoire Naturelle

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50323932
PNG
(CHEMBL1207919 | Halenaquinol sulfate)
Show SMILES C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3c(O)ccc(OS(O)(=O)=O)c3cc21
Show InChI InChI=1S/C20H14O8S/c1-20-5-4-15(22)12-8-27-19(17(12)20)18(23)11-6-9-10(7-13(11)20)16(3-2-14(9)21)28-29(24,25)26/h2-3,6-8,21H,4-5H2,1H3,(H,24,25,26)/t20-/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Muséum National d'Histoire Naturelle

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50323931
PNG
(CHEMBL478749 | Tetrahydrohalenaquinone B | xestosa...)
Show SMILES C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3C(=O)CCC(O)c3cc21
Show InChI InChI=1S/C20H20O5/c1-20-5-4-16(23)12-8-25-19(17(12)20)18(24)11-6-9-10(7-13(11)20)15(22)3-2-14(9)21/h6-7,12,15-16,22-23H,2-5,8H2,1H3/t12-,15?,16-,20-/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Muséum National d'Histoire Naturelle

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50323934
PNG
(CHEMBL1214486 | Orhalquinone)
Show SMILES CC1=C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3C2(C)CCC1
Show InChI InChI=1S/C20H16O4/c1-10-4-3-7-20(2)14-9-12-11(15(21)5-6-16(12)22)8-13(14)18(23)19(24)17(10)20/h5-6,8-9H,3-4,7H2,1-2H3
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n/an/a 1.57E+6n/an/an/an/an/an/a



Muséum National d'Histoire Naturelle

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 (Bee)


(Apis mellifera)
BDBM50336349
PNG
(CHEMBL1668038 | Orhalquinone)
Show SMILES CC1=C2C(=O)Cc3cc4C(=O)C=CC(=O)c4cc3C2(C)CCC1
Show InChI InChI=1S/C20H18O3/c1-11-4-3-7-20(2)15-10-14-13(16(21)5-6-17(14)22)8-12(15)9-18(23)19(11)20/h5-6,8,10H,3-4,7,9H2,1-2H3
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n/an/a 1.57E+6n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair