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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'schulze elfringhoff' and Initial = 'a'   
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
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50185348
PNG
(3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(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 11n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50185356
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)31-19-23(28)18-27-16-15-21-17-22(26(29)30)11-14-25(21)27/h9-17H,2-8,18-19H2,1H3,(H,29,30)
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n/an/a 35n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50185355
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(N)=O)cc1
Show InChI InChI=1S/C26H32N2O3/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)31-19-23(29)18-28-16-15-21-17-22(26(27)30)11-14-25(21)28/h9-17H,2-8,18-19H2,1H3,(H2,27,30)
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n/an/a 120n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50206343
PNG
(CHEMBL242320 | N-methyl-1-[3-(4-octylphenoxy)-2-ox...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)S(=O)(=O)NC)cc1
Show InChI InChI=1S/C26H34N2O4S/c1-3-4-5-6-7-8-9-21-10-12-24(13-11-21)32-20-23(29)19-28-17-16-22-18-25(14-15-26(22)28)33(30,31)27-2/h10-18,27H,3-9,19-20H2,1-2H3
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n/an/a 310n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50206338
PNG
(CHEMBL242960 | N-methyl-1-[3-(4-octylphenoxy)-2-ox...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(=O)NC)cc1
Show InChI InChI=1S/C27H34N2O3/c1-3-4-5-6-7-8-9-21-10-13-25(14-11-21)32-20-24(30)19-29-17-16-22-18-23(27(31)28-2)12-15-26(22)29/h10-18H,3-9,19-20H2,1-2H3,(H,28,31)
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n/an/a 370n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50206342
PNG
(1-[3-(4-octylphenoxy)-2-oxopropyl]indole-5-sulfona...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)S(N)(=O)=O)cc1
Show InChI InChI=1S/C25H32N2O4S/c1-2-3-4-5-6-7-8-20-9-11-23(12-10-20)31-19-22(28)18-27-16-15-21-17-24(32(26,29)30)13-14-25(21)27/h9-17H,2-8,18-19H2,1H3,(H2,26,29,30)
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n/an/a 390n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50206339
PNG
(1-[5-(morpholine-4-carbonyl)indol-1-yl]-3-(4-octyl...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C30H38N2O4/c1-2-3-4-5-6-7-8-24-9-12-28(13-10-24)36-23-27(33)22-32-16-15-25-21-26(11-14-29(25)32)30(34)31-17-19-35-20-18-31/h9-16,21H,2-8,17-20,22-23H2,1H3
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n/an/a 500n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50206340
PNG
(CHEMBL397954 | N,N-dimethyl-1-[3-(4-octylphenoxy)-...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)S(=O)(=O)N(C)C)cc1
Show InChI InChI=1S/C27H36N2O4S/c1-4-5-6-7-8-9-10-22-11-13-25(14-12-22)33-21-24(30)20-29-18-17-23-19-26(15-16-27(23)29)34(31,32)28(2)3/h11-19H,4-10,20-21H2,1-3H3
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n/an/a 500n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50206336
PNG
(CHEMBL242961 | N,N-dimethyl-1-[3-(4-octylphenoxy)-...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(=O)N(C)C)cc1
Show InChI InChI=1S/C28H36N2O3/c1-4-5-6-7-8-9-10-22-11-14-26(15-12-22)33-21-25(31)20-30-18-17-23-19-24(13-16-27(23)30)28(32)29(2)3/h11-19H,4-10,20-21H2,1-3H3
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n/an/a 840n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50206337
PNG
(1-(4-octylphenoxy)-3-[5-(1H-tetrazol-5-yl)indol-1-...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C26H31N5O2/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(32)18-31-16-15-21-17-22(11-14-25(21)31)26-27-29-30-28-26/h9-17H,2-8,18-19H2,1H3,(H,27,28,29,30)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50059523
PNG
((6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F
Show InChI InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50206341
PNG
(3-{1-[3-(4-octylphenoxy)-2-oxopropyl]indol-5-yl}-4...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)-c2nc(=O)o[nH]2)cc1
Show InChI InChI=1S/C27H31N3O4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(31)18-30-16-15-21-17-22(11-14-25(21)30)26-28-27(32)34-29-26/h9-17H,2-8,18-19H2,1H3,(H,28,29,32)
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay


Bioorg Med Chem 15: 2883-91 (2007)


Article DOI: 10.1016/j.bmc.2007.02.016
BindingDB Entry DOI: 10.7270/Q24749JP
More data for this
Ligand-Target Pair