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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50001764   
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, membrane associated


(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 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366784
PNG
(CHEMBL4171084)
Show SMILES NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366811
PNG
(CHEMBL4176544)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-5-12-9-16(18(23)27)24(15(12)10-13)14-3-1-2-11(8-14)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
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n/an/a 43n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366983
PNG
(CHEMBL4160483)
Show SMILES NC(=O)c1cc2ccc(OC(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H16F2N2O4/c20-19(21)27-14-6-5-12-9-16(18(22)26)23(15(12)10-14)13-3-1-2-11(8-13)4-7-17(24)25/h1-3,5-6,8-10,19H,4,7H2,(H2,22,26)(H,24,25)
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n/an/a 68n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366807
PNG
(CHEMBL4172222)
Show SMILES NC(=O)c1cc2ccc(Cl)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C30H47N5O15/c1-11(2)5-4-6-16(39)33-20-23(43)21(41)14(47-29(20)50-28-19(32-12(3)37)22(42)18(31)15(10-36)48-28)9-13(38)26-24(44)25(45)27(49-26)35-8-7-17(40)34-30(35)46/h4,6-8,11,13-15,18-29,36,38,41-45H,5,9-10,31H2,1-3H3,(H,32,37)(H,33,39)(H,34,40,46)/b6-4+/t13?,14-,15-,18-,19-,20-,21+,22+,23-,24+,25-,26-,27-,28-,29+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366839
PNG
(CHEMBL4175583)
Show SMILES NC(=O)c1cc2ccc(OCC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C20H17F3N2O4/c21-20(22,23)11-29-15-6-5-13-9-17(19(24)28)25(16(13)10-15)14-3-1-2-12(8-14)4-7-18(26)27/h1-3,5-6,8-10H,4,7,11H2,(H2,24,28)(H,26,27)
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n/an/a 93n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Mus musculus)
BDBM50366784
PNG
(CHEMBL4171084)
Show SMILES NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
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n/an/a 96n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse sPLA2-10 using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substrate additio...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366840
PNG
(CHEMBL4174522)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C#N
Show InChI InChI=1S/C19H15N3O3/c20-11-13-4-6-14-10-17(19(21)25)22(16(14)9-13)15-3-1-2-12(8-15)5-7-18(23)24/h1-4,6,8-10H,5,7H2,(H2,21,25)(H,23,24)
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-5 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate p...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
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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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using HDL as substrate pretreated for 20 mins followed by substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366905
PNG
(CHEMBL4173359)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C1CC1
Show InChI InChI=1S/C21H20N2O3/c22-21(26)19-12-16-8-7-15(14-5-6-14)11-18(16)23(19)17-3-1-2-13(10-17)4-9-20(24)25/h1-3,7-8,10-12,14H,4-6,9H2,(H2,22,26)(H,24,25)
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n/an/a 160n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366889
PNG
(CHEMBL4175643)
Show SMILES CCc1ccc2cc(C(N)=O)n(-c3cccc(CCC(O)=O)c3)c2c1
Show InChI InChI=1S/C20H22F2N4O/c1-19-9-8-14-13-5-3-12(20(21,22)18-23-25-26-24-18)10-11(13)2-4-15(14)16(19)6-7-17(19)27/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,23,24,25,26)/t14-,15-,16+,19+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366876
PNG
(CHEMBL4171797)
Show SMILES Cc1ccc2cc(C(N)=O)n(-c3cccc(CCC(O)=O)c3)c2c1
Show InChI InChI=1S/C19H18N2O3/c1-12-5-7-14-11-17(19(20)24)21(16(14)9-12)15-4-2-3-13(10-15)6-8-18(22)23/h2-5,7,9-11H,6,8H2,1H3,(H2,20,24)(H,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366968
PNG
(CHEMBL4161605)
Show SMILES NC(=O)c1cc2ccc(F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C18H15FN2O3/c19-13-6-5-12-9-16(18(20)24)21(15(12)10-13)14-3-1-2-11(8-14)4-7-17(22)23/h1-3,5-6,8-10H,4,7H2,(H2,20,24)(H,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366784
PNG
(CHEMBL4171084)
Show SMILES NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
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n/an/a 270n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using HDL as substrate pretreated for 20 mins followed by substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50366784
PNG
(CHEMBL4171084)
Show SMILES NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366983
PNG
(CHEMBL4160483)
Show SMILES NC(=O)c1cc2ccc(OC(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H16F2N2O4/c20-19(21)27-14-6-5-12-9-16(18(22)26)23(15(12)10-14)13-3-1-2-11(8-13)4-7-17(24)25/h1-3,5-6,8-10,19H,4,7H2,(H2,22,26)(H,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using HDL as substrate pretreated for 20 mins followed by substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366811
PNG
(CHEMBL4176544)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-5-12-9-16(18(23)27)24(15(12)10-13)14-3-1-2-11(8-14)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
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n/an/a 480n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using HDL as substrate pretreated for 20 mins followed by substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366970
PNG
(CHEMBL4160502)
Show SMILES COc1ccc2cc(C(N)=O)n(-c3cccc(CCC(O)=O)c3)c2c1
Show InChI InChI=1S/C19H18N2O4/c1-25-15-7-6-13-10-17(19(20)24)21(16(13)11-15)14-4-2-3-12(9-14)5-8-18(22)23/h2-4,6-7,9-11H,5,8H2,1H3,(H2,20,24)(H,22,23)
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n/an/a 620n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366839
PNG
(CHEMBL4175583)
Show SMILES NC(=O)c1cc2ccc(OCC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C20H17F3N2O4/c21-20(22,23)11-29-15-6-5-13-9-17(19(24)28)25(16(13)10-15)14-3-1-2-12(8-14)4-7-18(26)27/h1-3,5-6,8-10H,4,7,11H2,(H2,24,28)(H,26,27)
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n/an/a 740n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using HDL as substrate pretreated for 20 mins followed by substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366965
PNG
(CHEMBL4159939)
Show SMILES Cc1cccc2n(c(cc12)C(N)=O)-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H18N2O3/c1-12-4-2-7-16-15(12)11-17(19(20)24)21(16)14-6-3-5-13(10-14)8-9-18(22)23/h2-7,10-11H,8-9H2,1H3,(H2,20,24)(H,22,23)
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n/an/a 830n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50366811
PNG
(CHEMBL4176544)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-5-12-9-16(18(23)27)24(15(12)10-13)14-3-1-2-11(8-14)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
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n/an/a 890n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366959
PNG
(CHEMBL4176269)
Show SMILES NC(=O)c1cc2ccccc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C18H16N2O3/c19-18(23)16-11-13-5-1-2-7-15(13)20(16)14-6-3-4-12(10-14)8-9-17(21)22/h1-7,10-11H,8-9H2,(H2,19,23)(H,21,22)
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n/an/a 990n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366840
PNG
(CHEMBL4174522)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C#N
Show InChI InChI=1S/C19H15N3O3/c20-11-13-4-6-14-10-17(19(21)25)22(16(14)9-13)15-3-1-2-12(8-15)5-7-18(23)24/h1-4,6,8-10H,5,7H2,(H2,21,25)(H,23,24)
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n/an/a 990n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using HDL as substrate pretreated for 20 mins followed by substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366807
PNG
(CHEMBL4172222)
Show SMILES NC(=O)c1cc2ccc(Cl)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C30H47N5O15/c1-11(2)5-4-6-16(39)33-20-23(43)21(41)14(47-29(20)50-28-19(32-12(3)37)22(42)18(31)15(10-36)48-28)9-13(38)26-24(44)25(45)27(49-26)35-8-7-17(40)34-30(35)46/h4,6-8,11,13-15,18-29,36,38,41-45H,5,9-10,31H2,1-3H3,(H,32,37)(H,33,39)(H,34,40,46)/b6-4+/t13?,14-,15-,18-,19-,20-,21+,22+,23-,24+,25-,26-,27-,28-,29+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using HDL as substrate pretreated for 20 mins followed by substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366783
PNG
(CHEMBL4170085)
Show SMILES Cc1cccc2cc(C(N)=O)n(-c3cccc(CCC(O)=O)c3)c12
Show InChI InChI=1S/C19H18N2O3/c1-12-4-2-6-14-11-16(19(20)24)21(18(12)14)15-7-3-5-13(10-15)8-9-17(22)23/h2-7,10-11H,8-9H2,1H3,(H2,20,24)(H,22,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366905
PNG
(CHEMBL4173359)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C1CC1
Show InChI InChI=1S/C21H20N2O3/c22-21(26)19-12-16-8-7-15(14-5-6-14)11-18(16)23(19)17-3-1-2-13(10-17)4-9-20(24)25/h1-3,7-8,10-12,14H,4-6,9H2,(H2,22,26)(H,24,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using HDL as substrate pretreated for 20 mins followed by substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM50366784
PNG
(CHEMBL4171084)
Show SMILES NC(=O)c1cc2ccc(OC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H15F3N2O4/c20-19(21,22)28-14-6-5-12-9-16(18(23)27)24(15(12)10-14)13-3-1-2-11(8-13)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
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n/an/a 2.23E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-5 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate p...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50366905
PNG
(CHEMBL4173359)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C1CC1
Show InChI InChI=1S/C21H20N2O3/c22-21(26)19-12-16-8-7-15(14-5-6-14)11-18(16)23(19)17-3-1-2-13(10-17)4-9-20(24)25/h1-3,7-8,10-12,14H,4-6,9H2,(H2,22,26)(H,24,25)
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n/an/a 2.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366967
PNG
(CHEMBL4168202)
Show SMILES Cc1ccc2n(c(cc2c1)C(N)=O)-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H18N2O3/c1-12-5-7-16-14(9-12)11-17(19(20)24)21(16)15-4-2-3-13(10-15)6-8-18(22)23/h2-5,7,9-11H,6,8H2,1H3,(H2,20,24)(H,22,23)
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n/an/a 2.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366971
PNG
(CHEMBL4163859)
Show SMILES NC(=O)c1cc2ccc(CO)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H18N2O4/c20-19(25)17-10-14-6-4-13(11-22)9-16(14)21(17)15-3-1-2-12(8-15)5-7-18(23)24/h1-4,6,8-10,22H,5,7,11H2,(H2,20,25)(H,23,24)
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n/an/a 2.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50366983
PNG
(CHEMBL4160483)
Show SMILES NC(=O)c1cc2ccc(OC(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H16F2N2O4/c20-19(21)27-14-6-5-12-9-16(18(22)26)23(15(12)10-14)13-3-1-2-11(8-13)4-7-17(24)25/h1-3,5-6,8-10,19H,4,7H2,(H2,22,26)(H,24,25)
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n/an/a 3.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM50366811
PNG
(CHEMBL4176544)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)13-6-5-12-9-16(18(23)27)24(15(12)10-13)14-3-1-2-11(8-14)4-7-17(25)26/h1-3,5-6,8-10H,4,7H2,(H2,23,27)(H,25,26)
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n/an/a 3.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-5 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate p...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50366840
PNG
(CHEMBL4174522)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C#N
Show InChI InChI=1S/C19H15N3O3/c20-11-13-4-6-14-10-17(19(21)25)22(16(14)9-13)15-3-1-2-12(8-15)5-7-18(23)24/h1-4,6,8-10H,5,7H2,(H2,21,25)(H,23,24)
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n/an/a 3.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50366889
PNG
(CHEMBL4175643)
Show SMILES CCc1ccc2cc(C(N)=O)n(-c3cccc(CCC(O)=O)c3)c2c1
Show InChI InChI=1S/C20H22F2N4O/c1-19-9-8-14-13-5-3-12(20(21,22)18-23-25-26-24-18)10-11(13)2-4-15(14)16(19)6-7-17(19)27/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,23,24,25,26)/t14-,15-,16+,19+/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366984
PNG
(CHEMBL4172025)
Show SMILES CS(=O)(=O)NC(=O)CCc1cccc(c1)-n1c(cc2ccccc12)C(N)=O
Show InChI InChI=1S/C19H19N3O4S/c1-27(25,26)21-18(23)10-9-13-5-4-7-15(11-13)22-16-8-3-2-6-14(16)12-17(22)19(20)24/h2-8,11-12H,9-10H2,1H3,(H2,20,24)(H,21,23)
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n/an/a 4.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50366807
PNG
(CHEMBL4172222)
Show SMILES NC(=O)c1cc2ccc(Cl)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C30H47N5O15/c1-11(2)5-4-6-16(39)33-20-23(43)21(41)14(47-29(20)50-28-19(32-12(3)37)22(42)18(31)15(10-36)48-28)9-13(38)26-24(44)25(45)27(49-26)35-8-7-17(40)34-30(35)46/h4,6-8,11,13-15,18-29,36,38,41-45H,5,9-10,31H2,1-3H3,(H,32,37)(H,33,39)(H,34,40,46)/b6-4+/t13?,14-,15-,18-,19-,20-,21+,22+,23-,24+,25-,26-,27-,28-,29+/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366804
PNG
(CHEMBL4169491)
Show SMILES NC(=O)c1cc2ccccc2n1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)11-5-3-6-12(9-11)21-13-7-2-1-4-10(13)8-14(21)15(20)22/h1-9H,(H2,20,22)
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n/an/a 6.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366857
PNG
(CHEMBL4168275)
Show SMILES NC(=O)c1cc2ccccc2n1-c1cccc(c1)C(=O)NCC(O)=O
Show InChI InChI=1S/C18H15N3O4/c19-17(24)15-9-11-4-1-2-7-14(11)21(15)13-6-3-5-12(8-13)18(25)20-10-16(22)23/h1-9H,10H2,(H2,19,24)(H,20,25)(H,22,23)
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n/an/a 7.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM50366905
PNG
(CHEMBL4173359)
Show SMILES NC(=O)c1cc2ccc(cc2n1-c1cccc(CCC(O)=O)c1)C1CC1
Show InChI InChI=1S/C21H20N2O3/c22-21(26)19-12-16-8-7-15(14-5-6-14)11-18(16)23(19)17-3-1-2-13(10-17)4-9-20(24)25/h1-3,7-8,10-12,14H,4-6,9H2,(H2,22,26)(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-5 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate p...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50366839
PNG
(CHEMBL4175583)
Show SMILES NC(=O)c1cc2ccc(OCC(F)(F)F)cc2n1-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C20H17F3N2O4/c21-20(22,23)11-29-15-6-5-13-9-17(19(24)28)25(16(13)10-15)14-3-1-2-12(8-14)4-7-18(26)27/h1-3,5-6,8-10H,4,7,11H2,(H2,24,28)(H,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366856
PNG
(CHEMBL4176688)
Show SMILES NC(=O)c1cc2ccccc2n1-c1cccc(CC(O)=O)c1
Show InChI InChI=1S/C17H14N2O3/c18-17(22)15-10-12-5-1-2-7-14(12)19(15)13-6-3-4-11(8-13)9-16(20)21/h1-8,10H,9H2,(H2,18,22)(H,20,21)
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n/an/a 1.03E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366964
PNG
(CHEMBL4175476)
Show SMILES NC(=O)c1cc2ccccc2n1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C17H14N2O3/c18-16(20)15-9-12-5-1-2-7-14(12)19(15)10-11-4-3-6-13(8-11)17(21)22/h1-9H,10H2,(H2,18,20)(H,21,22)
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n/an/a 2.07E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366960
PNG
(CHEMBL4168405)
Show SMILES NC(=O)c1cc2ccccc2n1-c1cccc(\C=C\C(O)=O)c1
Show InChI InChI=1S/C18H14N2O3/c19-18(23)16-11-13-5-1-2-7-15(13)20(16)14-6-3-4-12(10-14)8-9-17(21)22/h1-11H,(H2,19,23)(H,21,22)/b9-8+
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n/an/a 2.36E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366963
PNG
(CHEMBL4160366)
Show SMILES NC(=O)c1cc2ccccc2n1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C17H14N2O4/c18-17(22)15-8-11-4-1-2-7-14(11)19(15)12-5-3-6-13(9-12)23-10-16(20)21/h1-9H,10H2,(H2,18,22)(H,20,21)
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n/an/a 2.69E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366806
PNG
(CHEMBL4166071)
Show SMILES NC(=O)c1cc2ccccc2n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C16H24N4O9/c17-4-9-12(24)13(25)15(28-9)29-10(5-18-6-21)8-3-7(22)14(27-8)20-2-1-11(23)19-16(20)26/h1-2,6-10,12-15,22,24-25H,3-5,17H2,(H,18,21)(H,19,23,26)/t7-,8+,9-,10+,12-,13-,14-,15+/m1/s1
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n/an/a 2.91E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366782
PNG
(CHEMBL4164836)
Show SMILES NC(=O)CCc1cccc(c1)-n1c(cc2ccccc12)C(N)=O
Show InChI InChI=1S/C18H17N3O2/c19-17(22)9-8-12-4-3-6-14(10-12)21-15-7-2-1-5-13(15)11-16(21)18(20)23/h1-7,10-11H,8-9H2,(H2,19,22)(H2,20,23)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50366921
PNG
(CHEMBL4161571)
Show SMILES NC(=O)c1cc2ccccc2n1-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c16-15(18)14-10-11-6-4-5-9-13(11)17(14)12-7-2-1-3-8-12/h1-10H,(H2,16,18)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...


ACS Med Chem Lett 9: 594-599 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00505
BindingDB Entry DOI: 10.7270/Q2Z60RMJ
More data for this
Ligand-Target Pair