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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'afza' and Initial = 'n'   
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
Lipoxygenase


(Homo sapiens)
BDBM86082
PNG
(Tetraketone, 19)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccc(\C=C\c3ccccc3)cc2)C(=O)C1
Show InChI InChI=1S/C31H34O4/c1-30(2)16-23(32)28(24(33)17-30)27(29-25(34)18-31(3,4)19-26(29)35)22-14-12-21(13-15-22)11-10-20-8-6-5-7-9-20/h5-15,27-29H,16-19H2,1-4H3/b11-10+
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n/an/a 7.80E+3n/an/an/an/a8.025



Pharmaceutical Research Centre



Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86085
PNG
(Tetraketone, 22)
Show SMILES Cc1ccc(o1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C22H28O5/c1-12-6-7-17(27-12)20(18-13(23)8-21(2,3)9-14(18)24)19-15(25)10-22(4,5)11-16(19)26/h6-7,18-20H,8-11H2,1-5H3
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n/an/a 1.25E+4n/an/an/an/a8.025



Pharmaceutical Research Centre



Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86070
PNG
(Tetraketone, 3)
Show SMILES Cc1ccc(cc1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C24H30O4/c1-14-6-8-15(9-7-14)20(21-16(25)10-23(2,3)11-17(21)26)22-18(27)12-24(4,5)13-19(22)28/h6-9,20-22H,10-13H2,1-5H3
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n/an/a 1.63E+4n/an/an/an/a8.025



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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86077
PNG
(Tetraketone, 11)
Show SMILES CN(C)c1ccc(cc1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C25H33NO4/c1-24(2)11-17(27)22(18(28)12-24)21(15-7-9-16(10-8-15)26(5)6)23-19(29)13-25(3,4)14-20(23)30/h7-10,21-23H,11-14H2,1-6H3
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n/an/a 1.75E+4n/an/an/an/a8.025



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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86074
PNG
(Tetraketone, 8)
Show SMILES COc1ccc(cc1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C24H30O5/c1-23(2)10-16(25)21(17(26)11-23)20(14-6-8-15(29-5)9-7-14)22-18(27)12-24(3,4)13-19(22)28/h6-9,20-22H,10-13H2,1-5H3
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n/an/a 2.13E+4n/an/an/an/a8.025



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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 2.26E+4n/an/an/an/a8.025



University of Karachi



Assay Description
A mixture of test compound (10 μL; 1 mM) in MeOH, type-1B lipoxygenase (EC 1.13.11.12; from soyabean) (20 μL; 70 units) in 0.1 M aqueous ph...


J Enzyme Inhib Med Chem 25: 440-4 (2010)


Article DOI: 10.1080/14756360903179484
BindingDB Entry DOI: 10.7270/Q2V986X3
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86072
PNG
(Tetraketone, 6)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccc(O)cc2)C(=O)C1
Show InChI InChI=1S/C23H28O5/c1-22(2)9-15(25)20(16(26)10-22)19(13-5-7-14(24)8-6-13)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-21,24H,9-12H2,1-4H3
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n/an/a 2.64E+4n/an/an/an/a8.025



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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86080
PNG
(Tetraketone, 15)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccc(O)c(Br)c2)C(=O)C1
Show InChI InChI=1S/C23H27BrO5/c1-22(2)8-15(26)20(16(27)9-22)19(12-5-6-14(25)13(24)7-12)21-17(28)10-23(3,4)11-18(21)29/h5-7,19-21,25H,8-11H2,1-4H3
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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86078
PNG
(Tetraketone, 12)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccccc2Cl)C(=O)C1
Show InChI InChI=1S/C23H27ClO4/c1-22(2)9-15(25)20(16(26)10-22)19(13-7-5-6-8-14(13)24)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-21H,9-12H2,1-4H3
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n/an/a 2.84E+4n/an/an/an/a8.025



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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86076
PNG
(Tetraketone, 10)
Show SMILES CCOc1ccc(cc1)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C25H32O5/c1-6-30-16-9-7-15(8-10-16)21(22-17(26)11-24(2,3)12-18(22)27)23-19(28)13-25(4,5)14-20(23)29/h7-10,21-23H,6,11-14H2,1-5H3
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n/an/a 3.08E+4n/an/an/an/a8.025



Pharmaceutical Research Centre



Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86069
PNG
(Tetraketone, 2)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccccc2)C(=O)C1
Show InChI InChI=1S/C23H28O4/c1-22(2)10-15(24)20(16(25)11-22)19(14-8-6-5-7-9-14)21-17(26)12-23(3,4)13-18(21)27/h5-9,19-21H,10-13H2,1-4H3
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n/an/a 3.30E+4n/an/an/an/a8.025



Pharmaceutical Research Centre



Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86075
PNG
(Tetraketone, 9)
Show SMILES COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c(OC)c1
Show InChI InChI=1S/C25H32O6/c1-24(2)10-16(26)22(17(27)11-24)21(15-8-7-14(30-5)9-20(15)31-6)23-18(28)12-25(3,4)13-19(23)29/h7-9,21-23H,10-13H2,1-6H3
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n/an/a 3.31E+4n/an/an/an/a8.025



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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86083
PNG
(Tetraketone, 20)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccc(cc2)C(\Br)=C\c2ccccc2)C(=O)C1
Show InChI InChI=1S/C31H33BrO4/c1-30(2)15-23(33)28(24(34)16-30)27(29-25(35)17-31(3,4)18-26(29)36)21-12-10-20(11-13-21)22(32)14-19-8-6-5-7-9-19/h5-14,27-29H,15-18H2,1-4H3/b22-14-
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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86084
PNG
(Tetraketone, 21)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccco2)C(=O)C1
Show InChI InChI=1S/C21H26O5/c1-20(2)8-12(22)17(13(23)9-20)19(16-6-5-7-26-16)18-14(24)10-21(3,4)11-15(18)25/h5-7,17-19H,8-11H2,1-4H3
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n/an/a 5.15E+4n/an/an/an/a8.025



Pharmaceutical Research Centre



Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86079
PNG
(Tetraketone, 14)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2cccc(Br)c2)C(=O)C1
Show InChI InChI=1S/C23H27BrO4/c1-22(2)9-15(25)20(16(26)10-22)19(13-6-5-7-14(24)8-13)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-21H,9-12H2,1-4H3
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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM233017
PNG
(Conferin (1))
Show SMILES COc1cc(ccc1O)-c1coc2cc(O)c(O)cc2c1=O
Show InChI InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)17)10-7-22-14-6-13(19)12(18)5-9(14)16(10)20/h2-7,17-19H,1H3
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n/an/a 5.52E+4n/an/an/an/a8.025



University of Karachi



Assay Description
A mixture of test compound (10 μL; 1 mM) in MeOH, type-1B lipoxygenase (EC 1.13.11.12; from soyabean) (20 μL; 70 units) in 0.1 M aqueous ph...


J Enzyme Inhib Med Chem 25: 440-4 (2010)


Article DOI: 10.1080/14756360903179484
BindingDB Entry DOI: 10.7270/Q2V986X3
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM9461
PNG
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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n/an/a 1.00E+5n/an/an/an/a8.025



University of Karachi



Assay Description
A mixture of test compound (10 μL; 1 mM) in MeOH, type-1B lipoxygenase (EC 1.13.11.12; from soyabean) (20 μL; 70 units) in 0.1 M aqueous ph...


J Enzyme Inhib Med Chem 25: 440-4 (2010)


Article DOI: 10.1080/14756360903179484
BindingDB Entry DOI: 10.7270/Q2V986X3
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86081
PNG
(Tetraketone, 16)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccccc2N(=O)=O)C(=O)C1
Show InChI InChI=1S/C23H27NO6/c1-22(2)9-15(25)20(16(26)10-22)19(13-7-5-6-8-14(13)24(29)30)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-21H,9-12H2,1-4H3
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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86073
PNG
(Tetraketone, 7)
Show SMILES COc1ccccc1C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C24H30O5/c1-23(2)10-15(25)21(16(26)11-23)20(14-8-6-7-9-19(14)29-5)22-17(27)12-24(3,4)13-18(22)28/h6-9,20-22H,10-13H2,1-5H3
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n/an/a 1.96E+5n/an/an/an/a8.025



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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair
Lipoxygenase


(Homo sapiens)
BDBM86071
PNG
(Tetraketone, 4)
Show SMILES CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccccc2O)C(=O)C1
Show InChI InChI=1S/C23H28O5/c1-22(2)9-15(25)20(16(26)10-22)19(13-7-5-6-8-14(13)24)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-21,24H,9-12H2,1-4H3
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Assay Description
In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel. The compound was prepar...


J Enzyme Inhib Med Chem 23: 62-9 (2008)


Article DOI: 10.1080/14756360701408754
BindingDB Entry DOI: 10.7270/Q2P849FN
More data for this
Ligand-Target Pair