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BDBM50371970 CHEMBL89506

SMILES: CCCCCCCCSCC(=O)C(F)(F)F

InChI Key: InChIKey=WMQHRXUKAYSPPK-UHFFFAOYSA-N

Data: 2 KI  36 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50371970   
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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(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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4.17n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(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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191n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 5 mins


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
More data for this
Ligand-Target Pair
Juvenile hormone esterase (JHE)


(Manduca sexta (Moths))
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 22n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Manduca sexta juvenile hormone esterase


Bioorg Med Chem 16: 2114-30 (2008)


Article DOI: 10.1016/j.bmc.2007.10.081
BindingDB Entry DOI: 10.7270/Q2K938DT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-CoA: cholesterol acyltransferase (ACAT)


(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 24n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 1 after 5 mins


Bioorg Med Chem 16: 2114-30 (2008)


Article DOI: 10.1016/j.bmc.2007.10.081
BindingDB Entry DOI: 10.7270/Q2K938DT
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(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 13n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 1 after 15 mins


Bioorg Med Chem 16: 2114-30 (2008)


Article DOI: 10.1016/j.bmc.2007.10.081
BindingDB Entry DOI: 10.7270/Q2K938DT
More data for this
Ligand-Target Pair
Carboxylesterase 2


(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 8.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 5 mins


Bioorg Med Chem 16: 2114-30 (2008)


Article DOI: 10.1016/j.bmc.2007.10.081
BindingDB Entry DOI: 10.7270/Q2K938DT
More data for this
Ligand-Target Pair
Carboxylesterase 2


(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 5.80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 15 mins


Bioorg Med Chem 16: 2114-30 (2008)


Article DOI: 10.1016/j.bmc.2007.10.081
BindingDB Entry DOI: 10.7270/Q2K938DT
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(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 230n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH after 5 mins


Bioorg Med Chem 16: 2114-30 (2008)


Article DOI: 10.1016/j.bmc.2007.10.081
BindingDB Entry DOI: 10.7270/Q2K938DT
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(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 300n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH after 15 mins


Bioorg Med Chem 16: 2114-30 (2008)


Article DOI: 10.1016/j.bmc.2007.10.081
BindingDB Entry DOI: 10.7270/Q2K938DT
More data for this
Ligand-Target Pair
Juvenile hormone esterase, isoform B


(Trichoplusia ni)
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
MMDB

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n/an/a 1.60n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of Trichoplusia ni (cabbage looper) juvenile hormone esterase isolated from fifth-intsar larval stage using [3H]JH 3 as substrate incubate...


Chem Res Toxicol 14: 1563-72 (2001)


Article DOI: 10.1021/tx015508+
BindingDB Entry DOI: 10.7270/Q20004ZT
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
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 37n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of Sus scrofa (pig) carboxylesterase isolated from liver in using p-nitrophenyl acetate as substrate incubated for 5 min prior to substrat...


Chem Res Toxicol 14: 1563-72 (2001)


Article DOI: 10.1021/tx015508+
BindingDB Entry DOI: 10.7270/Q20004ZT
More data for this
Ligand-Target Pair
Liver carboxylesterase B-1


(Rattus norvegicus)
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 37n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in Fischer 344 Rattus norvegicus (rat) liver microsomes using p-nitrophenyl acetate as substrate incubated for 5 min p...


Chem Res Toxicol 14: 1563-72 (2001)


Article DOI: 10.1021/tx015508+
BindingDB Entry DOI: 10.7270/Q20004ZT
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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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PubMed
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
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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PubMed
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
More data for this
Ligand-Target Pair
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
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
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 5.60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Bioorg Med Chem 16: 2114-30 (2008)


Article DOI: 10.1016/j.bmc.2007.10.081
BindingDB Entry DOI: 10.7270/Q2K938DT
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
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 2.40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Bioorg Med Chem 16: 2114-30 (2008)


Article DOI: 10.1016/j.bmc.2007.10.081
BindingDB Entry DOI: 10.7270/Q2K938DT
More data for this
Ligand-Target Pair