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BDBM50259951 CHEMBL480681::cacospongionolide

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

InChI Key: InChIKey=FPUWYDSKOKLTDH-FRMRWZTPSA-N

Data: 6 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50259951   
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, membrane associated


(Homo sapiens (human))
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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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of human synovial group2 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 (Bee)


(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
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 (Bee)


(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
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 9.63E+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 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, membrane associated


(Homo sapiens (human))
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 9.07E+4n/an/an/an/an/an/a



Istituto per la Chimica di Molecole di Interesse Biologico CNR

Curated by ChEMBL


Assay Description
Inhibition of human synovial group2 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 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


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, 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)


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