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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2 group IIA' AND taxid = 10116   
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 group IIA


(Rattus norvegicus)
BDBM50274443
PNG
((+ +)-1-{3-Dodecanoyl-2,4,6-trihydroxy-5-[(2R,4R)-...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c([C@@H]2C[C@@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3/t35-,38-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274444
PNG
((--)-1-{3-Dodecanoyl-2,4,6-trihydroxy-5-[(2S,4S)-7...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c([C@H]2C[C@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3/t35-,38-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274337
PNG
(1-(3-Dodecanoyl-2,4,6-trihydroxy-5-methyl-phenyl)-...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C31H52O5/c1-4-6-8-10-12-14-16-18-20-22-25(32)27-29(34)24(3)30(35)28(31(27)36)26(33)23-21-19-17-15-13-11-9-7-5-2/h34-36H,4-23H2,1-3H3
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n/an/a 80n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50256011
PNG
(1,1'-(2,4,6-trihydroxy-1,3-phenylene)didodecan-1-o...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C30H50O5/c1-3-5-7-9-11-13-15-17-19-21-24(31)28-26(33)23-27(34)29(30(28)35)25(32)22-20-18-16-14-12-10-8-6-4-2/h23,33-35H,3-22H2,1-2H3
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n/an/a 90n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274445
PNG
((+ -)-1-{3-Dodecanoyl-2,4,6-trihydroxy-5-[(2R,4S)-...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c([C@H]2C[C@@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3/t35-,38+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274336
PNG
(1-{3-Dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C2CC(Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274446
PNG
((-+)-1-{3-Dodecanoyl-2,4,6-trihydroxy-5-[(2S,4R)-7...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c([C@@H]2C[C@H](Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3/t35-,38+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274441
PNG
(1-(3-Acetyl-5-dodecyl-2,4,6-trihydroxy-phenyl)-eth...)
Show SMILES CCCCCCCCCCCCc1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O
Show InChI InChI=1S/C22H34O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-20(25)18(15(2)23)22(27)19(16(3)24)21(17)26/h25-27H,4-14H2,1-3H3
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274442
PNG
(1-(3-Dodecanoyl-2-hydroxy-5-methyl-phenyl)-dodecan...)
Show SMILES CCCCCCCCCCCC(=O)c1cc(C)cc(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C31H52O3/c1-4-6-8-10-12-14-16-18-20-22-29(32)27-24-26(3)25-28(31(27)34)30(33)23-21-19-17-15-13-11-9-7-5-2/h24-25,34H,4-23H2,1-3H3
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274391
PNG
(1-(3-dodecyl-2,4,6-trihydroxyphenyl)dodecan-1-one ...)
Show SMILES CCCCCCCCCCCCc1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C30H52O4/c1-3-5-7-9-11-13-15-16-18-20-22-25-27(32)24-28(33)29(30(25)34)26(31)23-21-19-17-14-12-10-8-6-4-2/h24,32-34H,3-23H2,1-2H3
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274390
PNG
(1-(5-Dodecanoyl-2,4-dihydroxy-phenyl)-dodecan-1-on...)
Show SMILES CCCCCCCCCCCC(=O)c1cc(C(=O)CCCCCCCCCCC)c(O)cc1O
Show InChI InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-19-21-27(31)25-23-26(30(34)24-29(25)33)28(32)22-20-18-16-14-12-10-8-6-4-2/h23-24,33-34H,3-22H2,1-2H3
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274389
PNG
(1-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)dodeca...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(C)=O)c1O
Show InChI InChI=1S/C21H32O5/c1-4-5-6-7-8-9-10-11-12-13-16(23)18-20(25)14(2)19(24)17(15(3)22)21(18)26/h24-26H,4-13H2,1-3H3
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274388
PNG
(2-Phenyl-1-(2,4,6-trihydroxy-3-methyl-5-phenylacet...)
Show SMILES Cc1c(O)c(C(=O)Cc2ccccc2)c(O)c(C(=O)Cc2ccccc2)c1O
Show InChI InChI=1S/C23H20O5/c1-14-21(26)19(17(24)12-15-8-4-2-5-9-15)23(28)20(22(14)27)18(25)13-16-10-6-3-7-11-16/h2-11,26-28H,12-13H2,1H3
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50274387
PNG
(1-(3-Acetyl-2,4,6-trihydroxy-5-methyl-phenyl)-etha...)
Show SMILES CC(=O)c1c(O)c(C)c(O)c(C(C)=O)c1O
Show InChI InChI=1S/C11H12O5/c1-4-9(14)7(5(2)12)11(16)8(6(3)13)10(4)15/h14-16H,1-3H3
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055417
PNG
(CHEMBL407586 | Thielocin A1)
Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)C3=C(C)[C@@](C)(O)C4(O)Oc5c(C)c(OC)c(C(=O)Oc6c(C)c(C)c(C(O)=O)c(OC)c6C)c(C)c5C[C@@]4(C)C3=O)c(C)c2OC)c(C)c(C)c1C(O)=O
Show InChI InChI=1S/C54H60O18/c1-20-23(4)38(27(8)42(65-15)33(20)47(56)57)69-49(60)35-22(3)25(6)40(29(10)44(35)67-17)71-51(62)37-31(12)53(14,63)54(64)52(13,46(37)55)19-32-26(7)36(45(68-18)30(11)41(32)72-54)50(61)70-39-24(5)21(2)34(48(58)59)43(66-16)28(39)9/h63-64H,19H2,1-18H3,(H,56,57)(H,58,59)/t52-,53+,54?/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50241625
PNG
(7,4'-Dihydroxyflavan | CHEMBL508033)
Show SMILES Oc1ccc(cc1)C1CCc2ccc(O)cc2O1
Show InChI InChI=1S/C15H14O3/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14/h1-3,5-7,9,14,16-17H,4,8H2
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n/an/a>3.30E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of rat sPLA2 group 2A


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
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 7.80E+3n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of rat air pouch group2 sPLA2 by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055413
PNG
(CHEMBL384002 | Thielocin B3)
Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)Oc6c(C)c(C)c(C(O)=O)c(OC)c6C)c(OC)c5C)c(O)c(C)c4O)c3O)c(C)c2OC)c(C)c(C)c1C(O)=O
Show InChI InChI=1S/C62H66O20/c1-22-20-39(63)38(48(66)40(22)59(71)79-51-29(8)25(4)44(55(77-18)35(51)14)61(73)81-49-27(6)23(2)42(57(67)68)53(75-16)33(49)12)21-37-31(10)41(47(65)32(11)46(37)64)60(72)80-52-30(9)26(5)45(56(78-19)36(52)15)62(74)82-50-28(7)24(3)43(58(69)70)54(76-17)34(50)13/h20,63-66H,21H2,1-19H3,(H,67,68)(H,69,70)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
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 2.18E+4n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of rat air pouch group2 sPLA2 at 10 uM by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055429
PNG
(4-[[[4-[[[5-[[[[(Benzyloxycarbonyl)methyl]amino]me...)
Show SMILES CC1C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CNCC(=O)OCc4ccccc4)c(O)c(C)c3O)c(C)c2O)C(C)=C(C)C(C(O)=O)C1=O
Show InChI InChI=1S/C39H43NO12/c1-17-19(3)35(23(7)33(44)28(17)37(46)47)51-38(48)29-18(2)20(4)36(24(8)34(29)45)52-39(49)30-21(5)26(31(42)22(6)32(30)43)14-40-15-27(41)50-16-25-12-10-9-11-13-25/h9-13,23,28,35,40,42-43,45H,14-16H2,1-8H3,(H,46,47)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055422
PNG
(3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy...)
Show SMILES COc1cc(OC)c(cc1Oc1cc(C)c(OC)c(c1)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
Show InChI InChI=1S/C62H66O20/c1-25-21-38(22-40(48(25)73-16)60(68)80-50-33(9)29(5)47(56(77-20)37(50)13)62(70)82-52-31(7)27(3)45(58(65)66)54(75-18)35(52)11)78-43-23-39(41(71-14)24-42(43)72-15)59(67)79-49-32(8)28(4)46(55(76-19)36(49)12)61(69)81-51-30(6)26(2)44(57(63)64)53(74-17)34(51)10/h21-24H,1-20H3,(H,63,64)(H,65,66)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
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 3.69E+4n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of rat air pouch group2 sPLA2 at 10 uM by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
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 3.84E+4n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of rat air pouch group2 sPLA2 at 10 uM by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055424
PNG
(CHEMBL146849 | Succinic acid bis-[4-(4-carboxy-3-m...)
Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)CCC(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
Show InChI InChI=1S/C48H54O16/c1-19-23(5)39(29(11)41(57-13)33(19)45(51)52)63-47(55)35-21(3)25(7)37(27(9)43(35)59-15)61-31(49)17-18-32(50)62-38-26(8)22(4)36(44(60-16)28(38)10)48(56)64-40-24(6)20(2)34(46(53)54)42(58-14)30(40)12/h17-18H2,1-16H3,(H,51,52)(H,53,54)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055431
PNG
(Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...)
Show SMILES COc1ccc(Oc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
Show InChI InChI=1S/C60H62O19/c1-25-29(5)49(33(9)51(71-15)43(25)55(61)62)78-59(67)45-27(3)31(7)47(35(11)53(45)73-17)76-57(65)39-23-37(19-21-41(39)69-13)75-38-20-22-42(70-14)40(24-38)58(66)77-48-32(8)28(4)46(54(74-18)36(48)12)60(68)79-50-30(6)26(2)44(56(63)64)52(72-16)34(50)10/h19-24H,1-18H3,(H,61,62)(H,63,64)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055433
PNG
(Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...)
Show SMILES COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
Show InChI InChI=1S/C60H62O18S/c1-25-29(5)49(33(9)51(71-15)43(25)55(61)62)77-59(67)45-27(3)31(7)47(35(11)53(45)73-17)75-57(65)39-23-37(19-21-41(39)69-13)79-38-20-22-42(70-14)40(24-38)58(66)76-48-32(8)28(4)46(54(74-18)36(48)12)60(68)78-50-30(6)26(2)44(56(63)64)52(72-16)34(50)10/h19-24H,1-18H3,(H,61,62)(H,63,64)
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n/an/a 4.90E+4n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055420
PNG
(Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...)
Show SMILES COc1ccc(cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C)S(=O)(=O)c1ccc(OC)c(c1)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
Show InChI InChI=1S/C60H62O20S/c1-25-29(5)49(33(9)51(73-15)43(25)55(61)62)79-59(67)45-27(3)31(7)47(35(11)53(45)75-17)77-57(65)39-23-37(19-21-41(39)71-13)81(69,70)38-20-22-42(72-14)40(24-38)58(66)78-48-32(8)28(4)46(54(76-18)36(48)12)60(68)80-50-30(6)26(2)44(56(63)64)52(74-16)34(50)10/h19-24H,1-18H3,(H,61,62)(H,63,64)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
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 6.51E+4n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of rat air pouch group2 sPLA2 at 10 uM by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055426
PNG
(Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...)
Show SMILES COc1ccc(cc1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C)S(=O)c1ccc(OC)c(c1)C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c1C
Show InChI InChI=1S/C60H62O19S/c1-25-29(5)49(33(9)51(72-15)43(25)55(61)62)78-59(67)45-27(3)31(7)47(35(11)53(45)74-17)76-57(65)39-23-37(19-21-41(39)70-13)80(69)38-20-22-42(71-14)40(24-38)58(66)77-48-32(8)28(4)46(54(75-18)36(48)12)60(68)79-50-30(6)26(2)44(56(63)64)52(73-16)34(50)10/h19-24H,1-18H3,(H,61,62)(H,63,64)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055419
PNG
(CHEMBL358582 | Isophthalic acid bis-[4-(4-carboxy-...)
Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3cccc(c3)C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
Show InChI InChI=1S/C52H54O16/c1-21-25(5)41(29(9)43(61-13)35(21)47(53)54)67-51(59)37-23(3)27(7)39(31(11)45(37)63-15)65-49(57)33-18-17-19-34(20-33)50(58)66-40-28(8)24(4)38(46(64-16)32(40)12)52(60)68-42-26(6)22(2)36(48(55)56)44(62-14)30(42)10/h17-20H,1-16H3,(H,53,54)(H,55,56)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055430
PNG
(Bis[5-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy...)
Show SMILES COC1=C(C(O)=O)C(C)=C(C)C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)OC6C(C)C(OC)=C(C(O)=O)C(C)=C6C)c(OC)c5C)c(OC)c(C)c4OC)c(OC)c(C)c3OC)c(C)c2OC)C1C
Show InChI InChI=1S/C67H80O20/c1-26-30(5)50(36(11)56(78-19)44(26)62(68)69)84-64(72)46-28(3)32(7)52(38(13)58(46)80-21)86-66(74)48-34(9)42(54(76-17)40(15)60(48)82-23)25-43-35(10)49(61(83-24)41(16)55(43)77-18)67(75)87-53-33(8)29(4)47(59(81-22)39(53)14)65(73)85-51-31(6)27(2)45(63(70)71)57(79-20)37(51)12/h36-37,50-51H,25H2,1-24H3,(H,68,69)(H,70,71)
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n/an/a 1.30E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055412
PNG
((R)-4-[[[4-[[[5[(sec-phenylamino)methyl]2,4-dihydr...)
Show SMILES CC(NCc1c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(O)c3C)c(O)c2C)c(O)c(C)c1O)c1ccccc1
Show InChI InChI=1S/C38H41NO10/c1-16-18(3)34(22(7)32(42)27(16)36(44)45)48-37(46)28-17(2)19(4)35(23(8)33(28)43)49-38(47)29-20(5)26(30(40)21(6)31(29)41)15-39-24(9)25-13-11-10-12-14-25/h10-14,24,39-43H,15H2,1-9H3,(H,44,45)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055414
PNG
((E)-But-2-enedioic acid bis-[4-(4-carboxy-3-methox...)
Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)\C=C\C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
Show InChI InChI=1S/C48H52O16/c1-19-23(5)39(29(11)41(57-13)33(19)45(51)52)63-47(55)35-21(3)25(7)37(27(9)43(35)59-15)61-31(49)17-18-32(50)62-38-26(8)22(4)36(44(60-16)28(38)10)48(56)64-40-24(6)20(2)34(46(53)54)42(58-14)30(40)12/h17-18H,1-16H3,(H,51,52)(H,53,54)/b18-17+
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n/an/a 3.30E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055427
PNG
((S)-4-[[[4-[[[5[(sec-phenylamino)methyl]2,4-dihydr...)
Show SMILES C[C@H](NCc1c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)OC3C(C)C(=O)C(C(O)=O)C(C)=C3C)c(O)c2C)c(O)c(C)c1O)c1ccccc1
Show InChI InChI=1S/C38H43NO10/c1-16-18(3)34(22(7)32(42)27(16)36(44)45)48-37(46)28-17(2)19(4)35(23(8)33(28)43)49-38(47)29-20(5)26(30(40)21(6)31(29)41)15-39-24(9)25-13-11-10-12-14-25/h10-14,22,24,27,34,39-41,43H,15H2,1-9H3,(H,44,45)/t22?,24-,27?,34?/m0/s1
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n/an/a 3.60E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055418
PNG
(4-Oxo-4H-pyran-2,6-dicarboxylic acid bis-[4-(4-car...)
Show SMILES COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3cc(=O)cc(o3)C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(O)=O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(O)=O
Show InChI InChI=1S/C51H52O18/c1-19-23(5)40(27(9)42(61-13)34(19)46(53)54)68-50(59)36-21(3)25(7)38(29(11)44(36)63-15)66-48(57)32-17-31(52)18-33(65-32)49(58)67-39-26(8)22(4)37(45(64-16)30(39)12)51(60)69-41-24(6)20(2)35(47(55)56)43(62-14)28(41)10/h17-18H,1-16H3,(H,53,54)(H,55,56)
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n/an/a 8.80E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055411
PNG
(Bis[5-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...)
Show SMILES CC1C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)OC6C(C)C(=O)C(C(O)=O)C(C)=C6C)c(O)c5C)c(O)c(C)c4O)c(O)c(C)c3O)c(C)c2O)C(C)=C(C)C(C(O)=O)C1=O
Show InChI InChI=1S/C59H64O20/c1-18-22(5)50(30(13)46(64)36(18)54(68)69)76-56(72)38-20(3)24(7)52(32(15)48(38)66)78-58(74)40-26(9)34(42(60)28(11)44(40)62)17-35-27(10)41(45(63)29(12)43(35)61)59(75)79-53-25(8)21(4)39(49(67)33(53)16)57(73)77-51-23(6)19(2)37(55(70)71)47(65)31(51)14/h30-31,36-37,50-51,60-63,66-67H,17H2,1-16H3,(H,68,69)(H,70,71)
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n/an/a 9.50E+5n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
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 2.00E+6n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055428
PNG
(3-carboxy-4-methoxyphenyl-3-[[4-[(4-carboxy-3-meth...)
Show SMILES COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(O)=O)c(OC)c3C)c(OC)c2C)cc1
Show InChI InChI=1S/C37H38O10S/c1-18-20(3)32(22(5)33(44-9)29(18)35(38)39)47-37(41)30-19(2)21(4)31(23(6)34(30)45-10)46-36(40)27-17-26(15-16-28(27)43-8)48-25-13-11-24(42-7)12-14-25/h11-17H,1-10H3,(H,38,39)
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n/an/a 2.10E+6n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055425
PNG
(Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphe...)
Show SMILES COc1ccc(Sc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(O)=O)c(OC)c1C
Show InChI InChI=1S/C38H38O12S/c1-17-19(3)31(21(5)33(47-9)29(17)35(39)40)49-37(43)25-15-23(11-13-27(25)45-7)51-24-12-14-28(46-8)26(16-24)38(44)50-32-20(4)18(2)30(36(41)42)34(48-10)22(32)6/h11-16H,1-10H3,(H,39,40)(H,41,42)
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n/an/a 2.50E+6n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055423
PNG
((5-carboxy-2,4-dimethoxy-3,6-dimethylphenyl)5-[[4-...)
Show SMILES COC1=C(C(O)=O)C(C)=C(C)C(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)cc(OC)c(C)c4OC)c(OC)c(C)c3OC)c(C)c2OC)C1C
Show InChI InChI=1S/C44H54O12/c1-19-17-31(49-11)25(7)37(50-12)29(19)18-30-24(6)34(41(54-16)28(10)38(30)51-13)44(48)56-36-23(5)21(3)33(40(53-15)27(36)9)43(47)55-35-22(4)20(2)32(42(45)46)39(52-14)26(35)8/h17,26,35H,18H2,1-16H3,(H,45,46)
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n/an/a 3.00E+6n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055416
PNG
(Bis[3-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy...)
Show SMILES COc1ccc(Oc2ccc(OC)c(c2)C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)cc1C(=O)Oc1c(C)c(C)c(C(O)=O)c(OC)c1C
Show InChI InChI=1S/C38H38O13/c1-17-19(3)31(21(5)33(47-9)29(17)35(39)40)50-37(43)25-15-23(11-13-27(25)45-7)49-24-12-14-28(46-8)26(16-24)38(44)51-32-20(4)18(2)30(36(41)42)34(48-10)22(32)6/h11-16H,1-10H3,(H,39,40)(H,41,42)
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n/an/a 3.40E+6n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50055415
PNG
(Bis[5-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy...)
Show SMILES COc1c(C)c(OC)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(C)c1Cc1c(C)c(C(=O)Oc2c(C)c(C)c(C(O)=O)c(OC)c2C)c(OC)c(C)c1OC
Show InChI InChI=1S/C45H52O14/c1-18-20(3)34(24(7)38(54-13)30(18)42(46)47)58-44(50)32-22(5)28(36(52-11)26(9)40(32)56-15)17-29-23(6)33(41(57-16)27(10)37(29)53-12)45(51)59-35-21(4)19(2)31(43(48)49)39(55-14)25(35)8/h17H2,1-16H3,(H,46,47)(H,48,49)
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n/an/a 4.60E+6n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2 group IIA


(Rattus norvegicus)
BDBM50015214
PNG
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/a 3.20E+8n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of rat secretory Phospholipase A2 (group II).


Citation and Details
More data for this
Ligand-Target Pair