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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2, acidic'   
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, acidic


(Naja naja)
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 3.50E+3n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of Naja naja venom group1 sPLA2 at 10 uM by liquid scintillation counting


J Nat Prod 61: 931-5 (1998)

More data for this
Ligand-Target Pair
Phospholipase A2, acidic


(Naja naja)
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 1.70E+4n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of Naja naja venom group1 sPLA2 at 10 uM by liquid scintillation counting


J Nat Prod 61: 931-5 (1998)

More data for this
Ligand-Target Pair
Phospholipase A2, acidic


(Naja naja)
BDBM50292379
PNG
(3-O-beta-D-glucuronopyranosyl-2beta,16alpha-dihydr...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)([C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)C(O)=O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C53H82O25/c1-19-28(57)32(61)38(75-42-35(64)30(59)24(55)18-71-42)44(72-19)76-39-33(62)29(58)20(2)73-45(39)78-47(70)53-14-13-48(3,4)15-22(53)21-9-10-25-49(5)16-23(54)40(77-43-36(65)31(60)34(63)37(74-43)41(66)67)52(8,46(68)69)26(49)11-12-50(25,6)51(21,7)17-27(53)56/h9,19-20,22-40,42-45,54-65H,10-18H2,1-8H3,(H,66,67)(H,68,69)/t19-,20-,22-,23-,24+,25+,26+,27+,28-,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39+,40-,42-,43-,44-,45-,49+,50+,51+,52-,53+/m0/s1
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n/an/a 4.40E+5n/an/an/an/an/an/a



Universitat de Val£ncia

Curated by ChEMBL


Assay Description
Inhibition of Naja Naja PLA2


J Nat Prod 60: 1158-60 (1998)

More data for this
Ligand-Target Pair
Phospholipase A2, acidic


(Naja naja)
BDBM50292377
PNG
(3-O-beta-D-glucuronopyranosyl-2beta,16alpha-dihydr...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)([C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C48H74O21/c1-18-26(51)28(53)32(57)38(64-18)67-35-30(55)27(52)19(2)65-40(35)69-42(63)48-14-13-43(3,4)15-21(48)20-9-10-23-44(5)16-22(49)36(68-39-33(58)29(54)31(56)34(66-39)37(59)60)47(8,41(61)62)24(44)11-12-45(23,6)46(20,7)17-25(48)50/h9,18-19,21-36,38-40,49-58H,10-17H2,1-8H3,(H,59,60)(H,61,62)/t18-,19-,21-,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32+,33+,34-,35+,36-,38-,39-,40-,44+,45+,46+,47-,48+/m0/s1
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n/an/a 4.70E+5n/an/an/an/an/an/a



Universitat de Val£ncia

Curated by ChEMBL


Assay Description
Inhibition of Naja Naja PLA2


J Nat Prod 60: 1158-60 (1998)

More data for this
Ligand-Target Pair
Phospholipase A2, acidic


(Naja naja)
BDBM50292364
PNG
(CHEMBL517584 | dehydrotumulosic acid)
Show SMILES CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
Show InChI InChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25+,26+,29-,30-,31+/m1/s1
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n/an/a 8.45E+5n/an/an/an/an/an/a



Universitat de Val£ncia

Curated by ChEMBL


Assay Description
Inhibition of snake venom phospholipase A2 assessed as oxygen consumption for 3 mins


J Nat Prod 59: 977-9 (1997)

More data for this
Ligand-Target Pair
Phospholipase A2, acidic


(Naja naja)
BDBM50275563
PNG
((+)-pinitol | (1R,2S,3R,4S,5S,6S)-6-methoxycyclohe...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1
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n/an/a 1.92E+6n/an/an/an/an/an/a



Universitat de Val£ncia

Curated by ChEMBL


Assay Description
Inhibition of Naja Naja PLA2


J Nat Prod 60: 1158-60 (1998)

More data for this
Ligand-Target Pair
Phospholipase A2, acidic


(Naja naja)
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 2.15E+6n/an/an/an/an/an/a



Universitat de Val£ncia

Curated by ChEMBL


Assay Description
Inhibition of Naja Naja PLA2


J Nat Prod 60: 1158-60 (1998)

More data for this
Ligand-Target Pair
Phospholipase A2, acidic


(Naja naja)
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 2.16E+6n/an/an/an/an/an/a



Universitat de Val£ncia

Curated by ChEMBL


Assay Description
Inhibition of snake venom phospholipase A2 assessed as oxygen consumption for 3 mins


J Nat Prod 59: 977-9 (1997)

More data for this
Ligand-Target Pair
Phospholipase A2, acidic


(Naja naja)
BDBM50292363
PNG
(CHEMBL468034 | Pachymic acid)
Show SMILES CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
Show InChI InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1
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n/an/a 2.90E+6n/an/an/an/an/an/a



Universitat de Val£ncia

Curated by ChEMBL


Assay Description
Inhibition of snake venom phospholipase A2 assessed as oxygen consumption for 3 mins


J Nat Prod 59: 977-9 (1997)

More data for this
Ligand-Target Pair