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PubMed code 9599251

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Phospholipase A2


(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


(Homo sapiens (Human))		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 1.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Inhibition of human synovial 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


(Homo sapiens (Human))		BDBM50259943
PNG
((1R,3R,4aR,4bS,10aS,12aS)-3-(2-hydroxy-5-oxo-2,5-d...)
Show SMILES CC(=O)O[C@H]1O[C@H](C[C@@H]2[C@@H]1CCC1[C@@]2(C)CCC2C(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 3.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Inhibition of human synovial 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


(Homo sapiens (Human))		BDBM50259942
PNG
(CHEMBL470340 | Petrosaspongiolide P)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O[C@@H](O)[C@H]3CC[C@H]21)C1=CC(=O)OC1O |r,t:27|
Show InChI InChI=1S/C25H38O5/c1-23(2)9-5-10-25(4)18(23)8-11-24(3)16-13-17(15-12-20(26)30-22(15)28)29-21(27)14(16)6-7-19(24)25/h12,14,16-19,21-22,27-28H,5-11,13H2,1-4H3/t14-,16+,17+,18-,19-,21+,22?,24-,25-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Inhibition of human synovial 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


(Homo sapiens (Human))		BDBM50250399
PNG
(5-Hydroxy-4-{(R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,...)
Show SMILES C\C(CCC1=C(C)CCCC1(C)C)=C/CCC1=CC[C@@H](O[C@H]1O)C1=CC(=O)O[C@H]1O |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 3.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Inhibition of human synovial 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



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
* indicates data uncertainty>20%