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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = '85/88 kDa calcium-independent phospholipase A2' and Ligand = 'BDBM50371970'   
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
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 46n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPS as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presenc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 46n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPS as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presenc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 48n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iPLA2 assessed as reduction in free FA formation after 30 mins by HPLC-MS analysis


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 48n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in free [14C]-AA formation after 30 mins by sc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 48n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPG as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presenc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 48n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in free [14C]-AA formation after 30 mins by sc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 48n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iPLA2 assessed as reduction in free FA formation after 30 mins by HPLC-MS analysis


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 48n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPG as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presenc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 49n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in free AA formation after 30 mins by HPLC-MS ...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 49n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in free AA formation after 30 mins by HPLC-MS ...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPE as substrate assessed as assessed as reduction in free AA formation after 30 mins...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPE as substrate assessed as assessed as reduction in free AA formation after 30 mins...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 54n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 54n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 55n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iPLA2 assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 55n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iPLA2 assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 63n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPE as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presenc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 63n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPE as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presenc...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 67n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PLPC as substrate assessed as reduction in free AA formation after 30 mins by HPLC-MS ...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 67n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PLPC as substrate assessed as reduction in free AA formation after 30 mins by HPLC-MS ...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 83n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PLPC as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 83n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PLPC as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 160n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPA as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2


(Homo sapiens (Human))
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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Article
PubMed
n/an/a 160n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calcium-independent PLA2 using PAPA as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS...


J Med Chem 62: 1999-2007 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01568
BindingDB Entry DOI: 10.7270/Q27S7S71
More data for this
Ligand-Target Pair