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PubMed code 1294693

Compile data set for download or QSAR
Found 5 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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Article
PubMed
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 (Bee)


(Apis mellifera)
BDBM50242184
PNG
(SCALARADIAL | Scalaradial)
Show SMILES CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)[C@H](C=O)[C@@]12C
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 (Bee)


(Apis mellifera)
BDBM50478548
PNG
(CHEMBL478091)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C(C=O)[C@H](C=O)[C@@]3(C)[C@H](O)C[C@H]21
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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n/an/a 200n/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 (Bee)


(Apis mellifera)
BDBM50478547
PNG
(LUFFARIELLOLIDE | Luffariellolide)
Show SMILES C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/CCC1=CC(=O)OC1O
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 (Bee)


(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
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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n/an/a 280n/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
* indicates data uncertainty>20%