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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2' and Ligand = 'BDBM50053137'   
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
Phospholipase A2


(Homo sapiens (Human))
BDBM50053137
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C27H24N2O5/c1-2-19-21(15-18-11-6-7-12-20(18)17-9-4-3-5-10-17)29-14-8-13-22(34-16-23(30)31)25(29)24(19)26(32)27(28)33/h3-14H,2,15-16H2,1H3,(H2,28,33)(H,30,31)
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053137
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C27H24N2O5/c1-2-19-21(15-18-11-6-7-12-20(18)17-9-4-3-5-10-17)29-14-8-13-22(34-16-23(30)31)25(29)24(19)26(32)27(28)33/h3-14H,2,15-16H2,1H3,(H2,28,33)(H,30,31)
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053137
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C27H24N2O5/c1-2-19-21(15-18-11-6-7-12-20(18)17-9-4-3-5-10-17)29-14-8-13-22(34-16-23(30)31)25(29)24(19)26(32)27(28)33/h3-14H,2,15-16H2,1H3,(H2,28,33)(H,30,31)
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Article
PubMed
n/an/a 700n/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)
BDBM50053137
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C27H24N2O5/c1-2-19-21(15-18-11-6-7-12-20(18)17-9-4-3-5-10-17)29-14-8-13-22(34-16-23(30)31)25(29)24(19)26(32)27(28)33/h3-14H,2,15-16H2,1H3,(H2,28,33)(H,30,31)
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Article
PubMed
n/an/a 1.00E+3n/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