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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'bennion' and Initial = 'c'   
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
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50011193
PNG
(5-tert-Butyl-3-[2-(1-carboxy-3-phenyl-propylamino)...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1N=C(S[C@H]1C(O)=O)C(C)(C)C |c:19|
Show InChI InChI=1S/C20H27N3O5S/c1-12(21-14(17(25)26)11-10-13-8-6-5-7-9-13)15(24)23-16(18(27)28)29-19(22-23)20(2,3)4/h5-9,12,14,16,21H,10-11H2,1-4H3,(H,25,26)(H,27,28)/t12-,14-,16-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



Research and Development Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against angiotensin I converting enzyme


J Med Chem 34: 439-47 (1991)


BindingDB Entry DOI: 10.7270/Q28P5ZGR
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50011190
PNG
(5-tert-Butyl-3-[2-(1-carboxy-butylamino)-propionyl...)
Show SMILES CCC[C@H](N[C@@H](C)C(=O)N1N=C(S[C@H]1C(O)=O)C(C)(C)C)C(O)=O |c:10|
Show InChI InChI=1S/C15H25N3O5S/c1-6-7-9(12(20)21)16-8(2)10(19)18-11(13(22)23)24-14(17-18)15(3,4)5/h8-9,11,16H,6-7H2,1-5H3,(H,20,21)(H,22,23)/t8-,9-,11-/m0/s1
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Research and Development Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against angiotensin I converting enzyme


J Med Chem 34: 439-47 (1991)


BindingDB Entry DOI: 10.7270/Q28P5ZGR
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50011191
PNG
(3-[6-Amino-2-(1-carboxy-3-phenyl-propylamino)-hexa...)
Show SMILES CC(C)(C)C1=NN([C@@H](S1)C(O)=O)C(=O)[C@H](CCCCN)N[C@@H](CCc1ccccc1)C(O)=O |t:4|
Show InChI InChI=1S/C23H34N4O5S/c1-23(2,3)22-26-27(19(33-22)21(31)32)18(28)16(11-7-8-14-24)25-17(20(29)30)13-12-15-9-5-4-6-10-15/h4-6,9-10,16-17,19,25H,7-8,11-14,24H2,1-3H3,(H,29,30)(H,31,32)/t16-,17-,19-/m0/s1
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Research and Development Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against angiotensin I converting enzyme


J Med Chem 34: 439-47 (1991)


BindingDB Entry DOI: 10.7270/Q28P5ZGR
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50011192
PNG
((R)-1-[(S)-2-((S)-1-Carboxy-3-phenyl-propylamino)-...)
Show SMILES CC(NC(CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12?,14?,15-/m0/s1
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Research and Development Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against angiotensin I converting enzyme


J Med Chem 34: 439-47 (1991)


BindingDB Entry DOI: 10.7270/Q28P5ZGR
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50371784
PNG
(CHEMBL446458)
Show SMILES C[C@H](CO)Nc1[nH]c(SCc2cccc(F)c2F)nc2nc(=O)sc12
Show InChI InChI=1S/C15H14F2N4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50011194
PNG
(3-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-5...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1N=C(S[C@H]1C(O)=O)c1ccccc1 |c:19|
Show InChI InChI=1S/C22H23N3O5S/c1-14(23-17(21(27)28)13-12-15-8-4-2-5-9-15)19(26)25-20(22(29)30)31-18(24-25)16-10-6-3-7-11-16/h2-11,14,17,20,23H,12-13H2,1H3,(H,27,28)(H,29,30)/t14-,17-,20-/m0/s1
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Research and Development Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against angiotensin I converting enzyme


J Med Chem 34: 439-47 (1991)


BindingDB Entry DOI: 10.7270/Q28P5ZGR
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065327
PNG
(CHEMBL3403851)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1/C17H21ClFN5O3S2/c1-11(9-25)20-14-8-15(23-29(26,27)24-6-3-7-24)22-17(21-14)28-10-12-4-2-5-13(18)16(12)19/h2,4-5,8,11,25H,3,6-7,9-10H2,1H3,(H2,20,21,22,23)/t11-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50371783
PNG
(CHEMBL397237)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
Show InChI InChI=1S/C15H15F2N5OS2/c1-7(5-23)19-12-11-13(20-14(18)25-11)22-15(21-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,23H,5-6H2,1H3,(H3,18,19,20,21,22)/t7-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065330
PNG
(CHEMBL3403854)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCOCC2)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1/C18H23F2N5O4S2/c1-12(10-26)21-15-9-16(24-31(27,28)25-5-7-29-8-6-25)23-18(22-15)30-11-13-3-2-4-14(19)17(13)20/h2-4,9,12,26H,5-8,10-11H2,1H3,(H2,21,22,23,24)/t12-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110881
PNG
(4-(2-oxo-3-(4-(5-phenylpentylthio)phenoxy)propoxy)...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(SCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O5S/c28-23(19-31-24-12-10-22(11-13-24)27(29)30)20-32-25-14-16-26(17-15-25)33-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065326
PNG
(CHEMBL3403850)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1/C17H21F2N5O3S2/c1-11(9-25)20-14-8-15(23-29(26,27)24-6-3-7-24)22-17(21-14)28-10-12-4-2-5-13(18)16(12)19/h2,4-5,8,11,25H,3,6-7,9-10H2,1H3,(H2,20,21,22,23)/t11-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065324
PNG
(CHEMBL3403848)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N(C)C)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1/C16H21ClFN5O3S2/c1-10(8-24)19-13-7-14(22-28(25,26)23(2)3)21-16(20-13)27-9-11-5-4-6-12(17)15(11)18/h4-7,10,24H,8-9H2,1-3H3,(H2,19,20,21,22)/t10-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065331
PNG
(CHEMBL3403855)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCOCC2)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1/C18H23ClFN5O4S2/c1-12(10-26)21-15-9-16(24-31(27,28)25-5-7-29-8-6-25)23-18(22-15)30-11-13-3-2-4-14(19)17(13)20/h2-4,9,12,26H,5-8,10-11H2,1H3,(H2,21,22,23,24)/t12-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065325
PNG
(CHEMBL3403849)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCNCC2)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1/C18H24ClFN6O3S2/c1-12(10-27)22-15-9-16(25-31(28,29)26-7-5-21-6-8-26)24-18(23-15)30-11-13-3-2-4-14(19)17(13)20/h2-4,9,12,21,27H,5-8,10-11H2,1H3,(H2,22,23,24,25)/t12-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065328
PNG
(CHEMBL3403852)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCCC2)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1/C18H23F2N5O3S2/c1-12(10-26)21-15-9-16(24-30(27,28)25-7-2-3-8-25)23-18(22-15)29-11-13-5-4-6-14(19)17(13)20/h4-6,9,12,26H,2-3,7-8,10-11H2,1H3,(H2,21,22,23,24)/t12-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065329
PNG
(CHEMBL3403853)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCCCC2)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1/C19H25F2N5O3S2/c1-13(11-27)22-16-10-17(25-31(28,29)26-8-3-2-4-9-26)24-19(23-16)30-12-14-6-5-7-15(20)18(14)21/h5-7,10,13,27H,2-4,8-9,11-12H2,1H3,(H2,22,23,24,25)/t13-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110846
PNG
(4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065267
PNG
(CHEMBL3403840)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)C(F)(F)F)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1/C15H17F3N4O3S2/c1-10(8-23)19-12-7-13(22-27(24,25)15(16,17)18)21-14(20-12)26-9-11-5-3-2-4-6-11/h2-7,10,23H,8-9H2,1H3,(H2,19,20,21,22)/t10-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065256
PNG
(CHEMBL3403835)
Show SMILES C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1/C15H18ClFN4O3S2/c1-9(7-22)18-12-6-13(21-26(2,23)24)20-15(19-12)25-8-10-4-3-5-11(16)14(10)17/h3-6,9,22H,7-8H2,1-2H3,(H2,18,19,20,21)/t9-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065323
PNG
(CHEMBL3403847)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)c2cn(C)cn2)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1/C18H20ClFN6O3S2/c1-11(8-27)22-14-6-15(25-31(28,29)16-7-26(2)10-21-16)24-18(23-14)30-9-12-4-3-5-13(19)17(12)20/h3-7,10-11,27H,8-9H2,1-2H3,(H2,22,23,24,25)/t11-/s2
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Group VII phospholipase A2


(Sus scrofa)
BDBM50040461
PNG
((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...)
Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group VII phospholipase A2


(Sus scrofa)
BDBM50040458
PNG
((S)-4-((S)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110859
PNG
(CHEMBL26200 | {4-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(CC(O)=O)cc2)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-18-31-24-14-16-26(17-15-24)33-21-23(28)20-32-25-12-10-22(11-13-25)19-27(29)30/h10-17H,2-9,18-21H2,1H3,(H,29,30)
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110854
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-3-nitro-b...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2[N+]([O-])=O)C(O)=O)cc1
Show InChI InChI=1S/C26H33NO8/c1-2-3-4-5-6-7-8-9-16-33-22-11-13-23(14-12-22)34-18-21(28)19-35-25-15-10-20(26(29)30)17-24(25)27(31)32/h10-15,17H,2-9,16,18-19H2,1H3,(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50040461
PNG
((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...)
Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Group VII phospholipase A2


(Sus scrofa)
BDBM50040464
PNG
((S)-3-((S)-(E)-Dec-3-enoylamino)-4-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc2ccccc2c1)CC(O)=O
Show InChI InChI=1S/C24H31NO3S/c1-2-3-4-5-6-7-8-13-23(26)25-21(17-24(27)28)18-29-22-15-14-19-11-9-10-12-20(19)16-22/h7-12,14-16,21H,2-6,13,17-18H2,1H3,(H,25,26)(H,27,28)/b8-7+/t21-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065270
PNG
(CHEMBL3403843)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccc(cc2)C#N)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1/C21H21N5O3S2/c1-15(13-27)23-19-11-20(25-21(24-19)30-14-17-5-3-2-4-6-17)26-31(28,29)18-9-7-16(12-22)8-10-18/h2-11,15,27H,13-14H2,1H3,(H2,23,24,25,26)/t15-/s2
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110873
PNG
(4-[3-(4-Dodecyloxy-phenoxy)-2-oxo-propoxy]-benzoic...)
Show SMILES CCCCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C28H38O6/c1-2-3-4-5-6-7-8-9-10-11-20-32-25-16-18-27(19-17-25)34-22-24(29)21-33-26-14-12-23(13-15-26)28(30)31/h12-19H,2-11,20-22H2,1H3,(H,30,31)
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50221044
PNG
(CHEMBL309253)
Show SMILES Sc1nc(nn1Cc1cccc(Cl)c1)-c1ccccc1Cl
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n/an/a<28n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2625-8 (2003)


BindingDB Entry DOI: 10.7270/Q2B56J5K
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110875
PNG
(5-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-pentanoic...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCCCCC(O)=O)cc1
Show InChI InChI=1S/C24H38O6/c1-2-3-4-5-6-7-8-10-18-29-22-13-15-23(16-14-22)30-20-21(25)19-28-17-11-9-12-24(26)27/h13-16H,2-12,17-20H2,1H3,(H,26,27)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110846
PNG
(4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Group VII phospholipase A2


(Sus scrofa)
BDBM50040455
PNG
((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-(E)-dec-3-e...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc(Cc2ccccc2)cc1)CC(O)=O
Show InChI InChI=1S/C27H35NO3S/c1-2-3-4-5-6-7-11-14-26(29)28-24(20-27(30)31)21-32-25-17-15-23(16-18-25)19-22-12-9-8-10-13-22/h7-13,15-18,24H,2-6,14,19-21H2,1H3,(H,28,29)(H,30,31)/b11-7+/t24-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Group VII phospholipase A2


(Sus scrofa)
BDBM50040461
PNG
((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...)
Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
Compound was tested for in vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004502
PNG
(CHEMBL101972 | Phosphoric acid 2-hexadecanoylamino...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCO)CC(C)C
Show InChI InChI=1S/C24H50NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-23(20-22(2)3)21-31-32(28,29)30-19-18-26/h22-23,26H,4-21H2,1-3H3,(H,25,27)(H,28,29)/t23-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


J Med Chem 35: 2939-51 (1992)


BindingDB Entry DOI: 10.7270/Q2RF5T0R
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50004495
PNG
(CHEMBL101015 | Hexadecanoic acid 3-[hydroxy-(2-hyd...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCO)NC(=O)CCCCCCCCCCCCC
Show InChI InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(39)42-31-33(32-44-45(40,41)43-30-29-37)36-34(38)27-25-23-21-19-17-14-12-10-8-6-4-2/h33,37H,3-32H2,1-2H3,(H,36,38)(H,40,41)
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n/an/a 30n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay


J Med Chem 35: 2939-51 (1992)


BindingDB Entry DOI: 10.7270/Q2RF5T0R
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065269
PNG
(CHEMBL3403842)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1/C20H21ClN4O3S2/c1-14(12-26)22-18-11-19(25-30(27,28)17-9-7-16(21)8-10-17)24-20(23-18)29-13-15-5-3-2-4-6-15/h2-11,14,26H,12-13H2,1H3,(H2,22,23,24,25)/t14-/s2
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065254
PNG
(CHEMBL3403834)
Show SMILES C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1/C15H18F2N4O3S2/c1-9(7-22)18-12-6-13(21-26(2,23)24)20-15(19-12)25-8-10-4-3-5-11(16)14(10)17/h3-6,9,22H,7-8H2,1-2H3,(H2,18,19,20,21)/t9-/s2
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065322
PNG
(CHEMBL3403846)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)c2cn(C)cn2)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1/C18H20F2N6O3S2/c1-11(8-27)22-14-6-15(25-31(28,29)16-7-26(2)10-21-16)24-18(23-14)30-9-12-4-3-5-13(19)17(12)20/h3-7,10-11,27H,8-9H2,1-2H3,(H2,22,23,24,25)/t11-/s2
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110865
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxymethyl]-ben...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-17-32-25-13-15-26(16-14-25)33-21-24(28)20-31-19-22-11-10-12-23(18-22)27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30)
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110872
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxymethyl]-ben...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-18-32-25-14-16-26(17-15-25)33-21-24(28)20-31-19-22-10-12-23(13-11-22)27(29)30/h10-17H,2-9,18-21H2,1H3,(H,29,30)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110884
PNG
(4-[3-(4-Octyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C24H30O6/c1-2-3-4-5-6-7-16-28-21-12-14-23(15-13-21)30-18-20(25)17-29-22-10-8-19(9-11-22)24(26)27/h8-15H,2-7,16-18H2,1H3,(H,26,27)
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n/an/a 46n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110879
PNG
(4-{2-Oxo-3-[4-(5-phenyl-pentyloxy)-phenoxy]-propox...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O6/c28-23(19-32-25-12-10-22(11-13-25)27(29)30)20-33-26-16-14-24(15-17-26)31-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
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n/an/a 48n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065266
PNG
(CHEMBL3403839)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)Cc2ccccc2)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1/C21H24N4O3S2/c1-16(13-26)22-19-12-20(25-30(27,28)15-18-10-6-3-7-11-18)24-21(23-19)29-14-17-8-4-2-5-9-17/h2-12,16,26H,13-15H2,1H3,(H2,22,23,24,25)/t16-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110888
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-17-30-23-13-15-24(16-14-23)31-19-22(27)20-32-25-12-10-11-21(18-25)26(28)29/h10-16,18H,2-9,17,19-20H2,1H3,(H,28,29)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110853
PNG
(CHEMBL29246 | {3-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(OCC(O)=O)c2)cc1
Show InChI InChI=1S/C27H36O7/c1-2-3-4-5-6-7-8-9-17-31-23-13-15-24(16-14-23)32-19-22(28)20-33-25-11-10-12-26(18-25)34-21-27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110860
PNG
(CHEMBL29247 | {3-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(CC(O)=O)c2)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-17-31-24-13-15-25(16-14-24)32-20-23(28)21-33-26-12-10-11-22(18-26)19-27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30)
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n/an/a 60n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50065321
PNG
(CHEMBL3403845)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N(C)C)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1/C16H23N5O3S2/c1-12(10-22)17-14-9-15(20-26(23,24)21(2)3)19-16(18-14)25-11-13-7-5-4-6-8-13/h4-9,12,22H,10-11H2,1-3H3,(H2,17,18,19,20)/t12-/s2
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50040466
PNG
((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-7-phenyl-he...)
Show SMILES OC(=O)C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C30H35NO3S/c32-29(16-10-2-1-5-11-24-12-6-3-7-13-24)31-27(22-30(33)34)23-35-28-19-17-26(18-20-28)21-25-14-8-4-9-15-25/h3-4,6-9,12-15,17-20,27H,1-2,5,10-11,16,21-23H2,(H,31,32)(H,33,34)/t27-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets


J Med Chem 37: 557-9 (1994)


BindingDB Entry DOI: 10.7270/Q28W3CB7
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110863
PNG
(5-[3-(4-Decyloxy-phenoxy)-2-oxo-propylsulfanyl]-pe...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)CSCCCCC(O)=O)cc1
Show InChI InChI=1S/C24H38O5S/c1-2-3-4-5-6-7-8-10-17-28-22-13-15-23(16-14-22)29-19-21(25)20-30-18-11-9-12-24(26)27/h13-16H,2-12,17-20H2,1H3,(H,26,27)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110871
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-3-methoxy...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2OC)C(O)=O)cc1
Show InChI InChI=1S/C27H36O7/c1-3-4-5-6-7-8-9-10-17-32-23-12-14-24(15-13-23)33-19-22(28)20-34-25-16-11-21(27(29)30)18-26(25)31-2/h11-16,18H,3-10,17,19-20H2,1-2H3,(H,29,30)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
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