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SMILES: CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1

InChI Key: InChIKey=WTPLMBCNINDFBY-UHFFFAOYSA-N

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 16 hits for monomerid = 50055391   
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))
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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PubMed
n/an/a 11n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human nonpancreatic secretory Phospholipase A2 through chromogenic assay


J Med Chem 39: 5159-75 (1997)


Article DOI: 10.1021/jm960487f
BindingDB Entry DOI: 10.7270/Q22B8X54
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Mus musculus)
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2X phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 80n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group1B phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Phospholipase A2


(Mus musculus)
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 100n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group1B phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 170n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2A phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Mus musculus)
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 60n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2A phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Group IID secretory phospholipase A2


(Homo sapiens (Human))
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 120n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2D phospholipase A2 by [3H]oleic acid-labeled Escherichia coli membrane assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Group IID secretory phospholipase A2


(Mus musculus)
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2D phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Group IIE secretory phospholipase A2


(Homo sapiens (Human))
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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PubMed
n/an/a 9n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2E phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Group IIE secretory phospholipase A2


(Mus musculus)
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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PubMed
n/an/a 140n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2E phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Group IIF secretory phospholipase A2


(Homo sapiens (Human))
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 90n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2F phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Group IIF secretory phospholipase A2


(Mus musculus)
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 470n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2F phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 44n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2V phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Mus musculus)
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 57n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2V phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 22n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 13n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human nonpancreatic secretory Phospholipase A2 through DOC/PC assay


J Med Chem 39: 5159-75 (1997)


Article DOI: 10.1021/jm960487f
BindingDB Entry DOI: 10.7270/Q22B8X54
More data for this
Ligand-Target Pair