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PubMed code 25316315

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50262998
PNG
(CHEMBL477548 | mesyl-2-(3-(2-amino-2-oxoacetyl)-1-...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(C)(=O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C24H27N3O6S/c1-15(2)12-18-22(23(29)24(25)30)21-17(27(18)13-16-8-5-4-6-9-16)10-7-11-19(21)33-14-20(28)26-34(3,31)32/h4-11,15H,12-14H2,1-3H3,(H2,25,30)(H,26,28)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to sPLA2X (unknown origin)

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031106
PNG
(CHEMBL3337975)
Show SMILES CC(C)c1cc(c(C)s1)-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C12H15N3OS/c1-6(2)11-4-8(7(3)17-11)9-5-10(12(13)16)15-14-9/h4-6H,1-3H3,(H2,13,16)(H,14,15)
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n/an/a>51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50055366
PNG
((3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
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n/an/a 107n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031105
PNG
(CHEMBL3337976)
Show SMILES Cc1sc2ccccc2c1-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C13H11N3OS/c1-7-12(8-4-2-3-5-11(8)18-7)9-6-10(13(14)17)16-15-9/h2-6H,1H3,(H2,14,17)(H,15,16)
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n/an/a 174n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031107
PNG
(CHEMBL3337972)
Show SMILES Cc1cc(c(C)s1)-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C10H11N3OS/c1-5-3-7(6(2)15-5)8-4-9(10(11)14)13-12-8/h3-4H,1-2H3,(H2,11,14)(H,12,13)
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n/an/a 316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031104
PNG
(CHEMBL3337977)
Show SMILES Cc1sc(cc1-c1cc(n[nH]1)C(N)=O)-c1ccccc1
Show InChI InChI=1S/C15H13N3OS/c1-9-11(12-8-13(15(16)19)18-17-12)7-14(20-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,16,19)(H,17,18)
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n/an/a 347n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031103
PNG
(CHEMBL3337978)
Show SMILES NC(=O)c1cc([nH]n1)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C8H5Cl2N3OS/c9-6-1-3(7(10)15-6)4-2-5(8(11)14)13-12-4/h1-2H,(H2,11,14)(H,12,13)
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n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031102
PNG
(CHEMBL3337979)
Show SMILES Cc1sccc1-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C9H9N3OS/c1-5-6(2-3-14-5)7-4-8(9(10)13)12-11-7/h2-4H,1H3,(H2,10,13)(H,11,12)
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n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031112
PNG
(CHEMBL3337982)
Show SMILES Cc1sc2ccccc2c1-c1cc(nn1C)C(N)=O |(18.5,-9.27,;18.5,-7.73,;17.25,-6.82,;17.73,-5.36,;16.96,-4.04,;17.72,-2.7,;19.26,-2.7,;20.03,-4.03,;19.27,-5.36,;19.75,-6.82,;21.21,-7.3,;21.68,-8.77,;23.22,-8.78,;23.7,-7.31,;22.46,-6.4,;22.46,-4.86,;24.12,-10.03,;25.65,-9.88,;23.49,-11.43,)|
Show InChI InChI=1S/C14H13N3OS/c1-8-13(9-5-3-4-6-12(9)19-8)11-7-10(14(15)18)16-17(11)2/h3-7H,1-2H3,(H2,15,18)
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n/an/a 851n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031113
PNG
(CHEMBL3337983)
Show SMILES Cc1cc(c(C)s1)-c1cc(nn1C)C(N)=O
Show InChI InChI=1S/C11H13N3OS/c1-6-4-8(7(2)16-6)10-5-9(11(12)15)13-14(10)3/h4-5H,1-3H3,(H2,12,15)
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n/an/a 851n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031114
PNG
(CHEMBL3337984)
Show SMILES Cc1sc(cc1-c1cc(nn1C)C(N)=O)-c1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-10-12(14-9-13(16(17)20)18-19(14)2)8-15(21-10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,17,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031101
PNG
(CHEMBL3337980)
Show SMILES Cc1ccccc1-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C11H11N3O/c1-7-4-2-3-5-8(7)9-6-10(11(12)15)14-13-9/h2-6H,1H3,(H2,12,15)(H,13,14)
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n/an/a 2.75E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031100
PNG
(CHEMBL3337981)
Show SMILES NC(=O)c1cc([nH]n1)-c1ccccc1Cl
Show InChI InChI=1S/C10H8ClN3O/c11-7-4-2-1-3-6(7)8-5-9(10(12)15)14-13-8/h1-5H,(H2,12,15)(H,13,14)
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n/an/a 9.33E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031107
PNG
(CHEMBL3337972)
Show SMILES Cc1cc(c(C)s1)-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C10H11N3OS/c1-5-3-7(6(2)15-5)8-4-9(10(11)14)13-12-8/h3-4H,1-2H3,(H2,11,14)(H,12,13)
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n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to sPLA2X (unknown origin) by NMR spectroscopy based displacement assay

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031111
PNG
(CHEMBL1527011)
Show SMILES Oc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18)
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n/an/a 4.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to sPLA2X (unknown origin) by NMR spectroscopy based displacement assay

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031110
PNG
(CHEMBL3337973)
Show SMILES OC(=O)c1ccc(cc1)-n1ncc2ccccc2c1=O
Show InChI InChI=1S/C15H10N2O3/c18-14-13-4-2-1-3-11(13)9-16-17(14)12-7-5-10(6-8-12)15(19)20/h1-9H,(H,19,20)
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n/an/a 5.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to sPLA2X (unknown origin) by NMR spectroscopy based displacement assay

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50031109
PNG
(CHEMBL3337974)
Show SMILES OC(=O)c1csc(n1)-c1ccc2OCCc2c1
Show InChI InChI=1S/C12H9NO3S/c14-12(15)9-6-17-11(13-9)8-1-2-10-7(5-8)3-4-16-10/h1-2,5-6H,3-4H2,(H,14,15)
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n/an/a 7.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to sPLA2X (unknown origin) by NMR spectroscopy based displacement assay

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))		BDBM50055804
PNG
(2-(1-Benzyl-6-methoxy-2-methyl-1H-indol-3-yl)-2-hy...)
Show SMILES COc1ccc2c(C(O)C(N)=O)c(C)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H20N2O3/c1-12-17(18(22)19(20)23)15-9-8-14(24-2)10-16(15)21(12)11-13-6-4-3-5-7-13/h3-10,18,22H,11H2,1-2H3,(H2,20,23)
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n/an/a 2.50E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to sPLA2X (unknown origin)

Bioorg Med Chem Lett 24: 5251-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.058
BindingDB Entry DOI: 10.7270/Q2668FS8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%