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BDBM50429070 CHEMBL2335742

SMILES: CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccccc1

InChI Key: InChIKey=WQHNUCLXRFMSFN-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 50429070   
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
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50429070
PNG
(CHEMBL2335742)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)20-13-9-5-8-12-15(21)10-14(19-16(12)13)17(22)18-11-6-3-2-4-7-11/h2-10,20H,1H3,(H,18,22)(H,19,21)
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PubMed
n/an/a 27n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human plasma Lp-PLA2 using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr


Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50429070
PNG
(CHEMBL2335742)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)20-13-9-5-8-12-15(21)10-14(19-16(12)13)17(22)18-11-6-3-2-4-7-11/h2-10,20H,1H3,(H,18,22)(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human plasma Lp-PLA2 using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr in presence o...


Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50429070
PNG
(CHEMBL2335742)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)20-13-9-5-8-12-15(21)10-14(19-16(12)13)17(22)18-11-6-3-2-4-7-11/h2-10,20H,1H3,(H,18,22)(H,19,21)
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PubMed
n/an/a 46n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human plasma Lp-PLA2 using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr in presence o...


Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50429070
PNG
(CHEMBL2335742)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)20-13-9-5-8-12-15(21)10-14(19-16(12)13)17(22)18-11-6-3-2-4-7-11/h2-10,20H,1H3,(H,18,22)(H,19,21)
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n/an/a 4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20...


Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50429070
PNG
(CHEMBL2335742)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)20-13-9-5-8-12-15(21)10-14(19-16(12)13)17(22)18-11-6-3-2-4-7-11/h2-10,20H,1H3,(H,18,22)(H,19,21)
PDB
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20...


Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50429070
PNG
(CHEMBL2335742)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)20-13-9-5-8-12-15(21)10-14(19-16(12)13)17(22)18-11-6-3-2-4-7-11/h2-10,20H,1H3,(H,18,22)(H,19,21)
PDB
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NCI pathway
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human plasma Lp-PLA2 using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr in presence o...


Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50429070
PNG
(CHEMBL2335742)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)20-13-9-5-8-12-15(21)10-14(19-16(12)13)17(22)18-11-6-3-2-4-7-11/h2-10,20H,1H3,(H,18,22)(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-tagged AX4870 labeling of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli incubated for 2...


Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair