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Compile Data Set for Download or QSAR

Found 43 hits of ic50 for UniProtKB: P00630   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospholipase A2


(Apis mellifera)
BDBM50524139
PNG
(CHEMBL4467602)
Show SMILES CC(=O)OC(CCCCCCCCCCCCC(OC(C)=O)C1=CC(=O)OC1O)C1=CC(=O)OC1O |t:22,30|
Show InChI InChI=1S/C26H38O10/c1-17(27)33-21(19-15-23(29)35-25(19)31)13-11-9-7-5-3-4-6-8-10-12-14-22(34-18(2)28)20-16-24(30)36-26(20)32/h15-16,21-22,25-26,31-32H,3-14H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl furthe...


Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50524135
PNG
(CHEMBL4570349)
Show SMILES CC(C)(C)C(=O)OC(CCCCCCCCCCCCC(OC(=O)C(C)(C)C)C1=CC(=O)OC1O)C1=CC(=O)OC1O |t:28,36|
Show InChI InChI=1S/C32H50O10/c1-31(2,3)29(37)39-23(21-19-25(33)41-27(21)35)17-15-13-11-9-7-8-10-12-14-16-18-24(40-30(38)32(4,5)6)22-20-26(34)42-28(22)36/h19-20,23-24,27-28,35-36H,7-18H2,1-6H3
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Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl furthe...


Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50524140
PNG
(CHEMBL4447483)
Show SMILES OC1OC(=O)C=C1C(CCCCCCCCCCC(OC(=O)Nc1ccccc1)C1=CC(=O)OC1O)OC(=O)Nc1ccccc1 |c:5,t:31|
Show InChI InChI=1S/C34H40N2O10/c37-29-21-25(31(39)45-29)27(43-33(41)35-23-15-9-7-10-16-23)19-13-5-3-1-2-4-6-14-20-28(26-22-30(38)46-32(26)40)44-34(42)36-24-17-11-8-12-18-24/h7-12,15-18,21-22,27-28,31-32,39-40H,1-6,13-14,19-20H2,(H,35,41)(H,36,42)
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Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl furthe...


Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:4,t:17,25|
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 40n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibition of bee venom PLA2


J Nat Prod 55: 1701-17 (1992)


Article DOI: 10.1021/np50090a001
BindingDB Entry DOI: 10.7270/Q2H70JMC
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50242184
PNG
(Scalaradial)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9|
Show InChI InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibition of bee venom PLA2


J Nat Prod 55: 1701-17 (1992)


Article DOI: 10.1021/np50090a001
BindingDB Entry DOI: 10.7270/Q2H70JMC
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50242184
PNG
(Scalaradial)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9|
Show InChI InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Queen's Center for Biomedical REsearch

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)


J Nat Prod 80: 2741-2750 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00515
BindingDB Entry DOI: 10.7270/Q2GH9MHQ
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:19,t:2|
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)


BindingDB Entry DOI: 10.7270/Q28915MQ
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50478548
PNG
(CHEMBL478091)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCCC2(C)C |r,t:9|
Show InChI InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)18(22)9-12-24(4)19-8-7-16(14-26)17(15-27)25(19,5)21(28)13-20(23)24/h7,14-15,17-21,28H,6,8-13H2,1-5H3/t17-,18-,19-,20+,21+,23-,24-,25+/m0/s1
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University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibition of bee venom PLA2


J Nat Prod 55: 1701-17 (1992)


Article DOI: 10.1021/np50090a001
BindingDB Entry DOI: 10.7270/Q2H70JMC
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50478547
PNG
(Luffariellolide)
Show SMILES C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/CCC1=CC(=O)OC1O |c:9,t:22|
Show InChI InChI=1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+
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n/an/a 230n/an/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibition of bee venom PLA2


J Nat Prod 55: 1701-17 (1992)


Article DOI: 10.1021/np50090a001
BindingDB Entry DOI: 10.7270/Q2H70JMC
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50478546
PNG
((4E,6E)-Dehydromanoalide | CHEMBL482592)
Show SMILES C\C(CCC1=C(C)CCCC1(C)C)=C/CC\C(C=O)=C/C=C/C1=CC(=O)O[C@H]1O |r,c:4,t:23|
Show InChI InChI=1S/C25H34O4/c1-18(13-14-22-19(2)9-7-15-25(22,3)4)8-5-10-20(17-26)11-6-12-21-16-23(27)29-24(21)28/h6,8,11-12,16-17,24,28H,5,7,9-10,13-15H2,1-4H3/b12-6+,18-8+,20-11+/t24-/m1/s1
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University of California-San Diego

Curated by ChEMBL


Assay Description
Inhibition of bee venom PLA2


J Nat Prod 55: 1701-17 (1992)


Article DOI: 10.1021/np50090a001
BindingDB Entry DOI: 10.7270/Q2H70JMC
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:4,t:17,25|
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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University of Auckland

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 1261-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.056
BindingDB Entry DOI: 10.7270/Q2125SZK
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50066343
PNG
(5-Hydroxy-4-[6-hydroxy-5-((2E,6E)-3,7,11-trimethyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6]-[#6]-[#6](-[#8]-[#6]-1-[#8])-[#6]-1=[#6]-[#6](=O)-[#8]-[#6]-1-[#8] |t:15,23|
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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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


(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 |r,c:4,t:17,25|
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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Muséum National d'Histoire Naturelle

Curated by ChEMBL


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


Bioorg Med Chem 18: 6006-11 (2010)


Article DOI: 10.1016/j.bmc.2010.06.066
BindingDB Entry DOI: 10.7270/Q24F1QXH
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,t:30|
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


J Nat Prod 61: 571-5 (1998)


Article DOI: 10.1021/np9704922
BindingDB Entry DOI: 10.7270/Q2M32WN8
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50524136
PNG
(CHEMBL4553594)
Show SMILES CC(C)(C)C(=O)OC(CCCCCCCCCCCCC(OC(=O)C(C)(C)C)C1=CC(=O)OC1OC(=O)Nc1ccccc1)C1=CC(=O)OC1OC(=O)Nc1ccccc1 |t:28,46|
Show InChI InChI=1S/C46H60N2O12/c1-45(2,3)41(51)55-35(33-29-37(49)57-39(33)59-43(53)47-31-23-17-15-18-24-31)27-21-13-11-9-7-8-10-12-14-22-28-36(56-42(52)46(4,5)6)34-30-38(50)58-40(34)60-44(54)48-32-25-19-16-20-26-32/h15-20,23-26,29-30,35-36,39-40H,7-14,21-22,27-28H2,1-6H3,(H,47,53)(H,48,54)
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Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl furthe...


Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50066342
PNG
(5-Hydroxy-4-[5-((2E,6E)-3,7,11-trimethyl-dodeca-2,...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6]-[#6]-[#6](-[#8]-[#6]-1)-[#6]-1=[#6]-[#6](=O)-[#8]-[#6]-1-[#8] |t:15,22|
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


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


(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 |r,t:19,26|
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


J Nat Prod 61: 931-5 (1998)


Article DOI: 10.1021/np980122t
BindingDB Entry DOI: 10.7270/Q2BK1D8H
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,t:19,26|
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


J Nat Prod 61: 931-5 (1998)


Article DOI: 10.1021/np980122t
BindingDB Entry DOI: 10.7270/Q2BK1D8H
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50524137
PNG
(CHEMBL4452147)
Show SMILES OC1OC(=O)C(F)=C1\C=C\c1ccccc1 |c:6|
Show InChI InChI=1S/C12H9FO3/c13-10-9(11(14)16-12(10)15)7-6-8-4-2-1-3-5-8/h1-7,11,14H/b7-6+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Jamia Hamdard

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2


Eur J Med Chem 171: 66-92 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50323927
PNG
(CHEMBL513747 | Halenaquinone | helenaquinone)
Show SMILES C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C=CC(=O)c3cc21 |r,c:20|
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


Bioorg Med Chem Lett 21: 1261-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.056
BindingDB Entry DOI: 10.7270/Q2125SZK
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50323927
PNG
(CHEMBL513747 | Halenaquinone | helenaquinone)
Show SMILES C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C=CC(=O)c3cc21 |r,c:20|
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


Bioorg Med Chem 18: 6006-11 (2010)


Article DOI: 10.1016/j.bmc.2010.06.066
BindingDB Entry DOI: 10.7270/Q24F1QXH
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:4,t:17,25|
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


J Nat Prod 61: 571-5 (1998)


Article DOI: 10.1021/np9704922
BindingDB Entry DOI: 10.7270/Q2M32WN8
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:4,t:17,25|
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


J Nat Prod 61: 931-5 (1998)


Article DOI: 10.1021/np980122t
BindingDB Entry DOI: 10.7270/Q2BK1D8H
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:4,t:17,25|
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)


BindingDB Entry DOI: 10.7270/Q28915MQ
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:4,t:17,25|
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


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


(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 |r,w:11.10,c:23|
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


Bioorg Med Chem Lett 21: 1261-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.056
BindingDB Entry DOI: 10.7270/Q2125SZK
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,w:7.7,c:29|
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


Bioorg Med Chem Lett 21: 1261-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.056
BindingDB Entry DOI: 10.7270/Q2125SZK
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,w:6.5,c:18|
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


Bioorg Med Chem Lett 21: 1261-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.056
BindingDB Entry DOI: 10.7270/Q2125SZK
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50336353
PNG
((S)-4-((3,7-dimethylocta-2,6-dienylamino)methylene...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]=[#6]-1-[#6]2-[#6](=O)-[#6](=O)-c3cc4-[#6](=O)-[#6]=[#6]-[#6](=O)-c4cc3[C@]2([#6])[#6]-[#6]-[#6]-1=O |r,w:11.10,c:23|
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


Bioorg Med Chem Lett 21: 1261-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.056
BindingDB Entry DOI: 10.7270/Q2125SZK
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |t:18,25|
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


J Nat Prod 61: 931-5 (1998)


Article DOI: 10.1021/np980122t
BindingDB Entry DOI: 10.7270/Q2BK1D8H
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:4,t:17,25|
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


J Nat Prod 61: 931-5 (1998)


Article DOI: 10.1021/np980122t
BindingDB Entry DOI: 10.7270/Q2BK1D8H
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,w:6.5,c:18|
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


Bioorg Med Chem Lett 21: 1261-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.056
BindingDB Entry DOI: 10.7270/Q2125SZK
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:9,t:18,25|
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


J Nat Prod 61: 931-5 (1998)


Article DOI: 10.1021/np980122t
BindingDB Entry DOI: 10.7270/Q2BK1D8H
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:9,t:18,25|
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


J Nat Prod 61: 931-5 (1998)


Article DOI: 10.1021/np980122t
BindingDB Entry DOI: 10.7270/Q2BK1D8H
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,t:20|
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


Bioorg Med Chem 18: 6006-11 (2010)


Article DOI: 10.1016/j.bmc.2010.06.066
BindingDB Entry DOI: 10.7270/Q24F1QXH
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:21|
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


Bioorg Med Chem 18: 6006-11 (2010)


Article DOI: 10.1016/j.bmc.2010.06.066
BindingDB Entry DOI: 10.7270/Q24F1QXH
More data for this
Ligand-Target Pair
Phospholipase A2


(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


Bioorg Med Chem Lett 23: 6234-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.093
BindingDB Entry DOI: 10.7270/Q2V69M1R
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,c:6|
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


Bioorg Med Chem 18: 6006-11 (2010)


Article DOI: 10.1016/j.bmc.2010.06.066
BindingDB Entry DOI: 10.7270/Q24F1QXH
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,t:9|
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


Bioorg Med Chem 18: 6006-11 (2010)


Article DOI: 10.1016/j.bmc.2010.06.066
BindingDB Entry DOI: 10.7270/Q24F1QXH
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r|
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


Bioorg Med Chem 18: 6006-11 (2010)


Article DOI: 10.1016/j.bmc.2010.06.066
BindingDB Entry DOI: 10.7270/Q24F1QXH
More data for this
Ligand-Target Pair
Phospholipase A2


(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 |r,t:9|
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


Bioorg Med Chem 18: 6006-11 (2010)


Article DOI: 10.1016/j.bmc.2010.06.066
BindingDB Entry DOI: 10.7270/Q24F1QXH
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50336349
PNG
(CHEMBL1668038 | Orhalquinone)
Show SMILES CC1=C2C(=O)Cc3cc4C(=O)C=CC(=O)c4cc3C2(C)CCC1 |c:1,11|
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


Bioorg Med Chem Lett 21: 1261-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.056
BindingDB Entry DOI: 10.7270/Q2125SZK
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50323934
PNG
(CHEMBL1214486 | Orhalquinone)
Show SMILES CC1=C2C(=O)C(=O)c3cc4C(=O)C=CC(=O)c4cc3C2(C)CCC1 |c:1,12|
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


Bioorg Med Chem 18: 6006-11 (2010)


Article DOI: 10.1016/j.bmc.2010.06.066
BindingDB Entry DOI: 10.7270/Q24F1QXH
More data for this
Ligand-Target Pair