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PubMed code 18341266

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Arachidonate 12-lipoxygenase, 12R-type


(Homo sapiens (Human))		BDBM86087
PNG
(Buddlejoside B, 2)
Show SMILES OCC1OC(O[C@@H]2OC=C[C@H]3[C@H](O)C=C(COC(=O)c4ccc(O)c(O)c4)[C@@H]23)C(O)C(O)C1O |r,c:8,t:13|
Show InChI InChI=1S/C22H26O12/c23-7-15-17(27)18(28)19(29)22(33-15)34-21-16-10(6-13(25)11(16)3-4-31-21)8-32-20(30)9-1-2-12(24)14(26)5-9/h1-6,11,13,15-19,21-29H,7-8H2/t11-,13+,15?,16+,17?,18?,19?,21-,22?/m0/s1
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n/an/a 3.97E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...

J Enzyme Inhib Med Chem 23: 140-3 (2008)


Article DOI: 10.1080/14756360701342532
BindingDB Entry DOI: 10.7270/Q2JH3JRC
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase, 12R-type


(Homo sapiens (Human))		BDBM86092
PNG
(Buddlejoside A5, 7)
Show SMILES COc1ccc(\C=C\C(=O)OC2C(O)C(C)OC(O[C@@H]3[C@@H]4O[C@]4(CO)C4C3C=CO[C@H]4OC3OC(CO)C(O)C(O)C3O)C2OC(C)=O)cc1 |r,c:29|
Show InChI InChI=1S/C33H42O17/c1-14-22(38)27(47-20(37)9-6-16-4-7-17(42-3)8-5-16)28(45-15(2)36)32(44-14)48-26-18-10-11-43-30(21(18)33(13-35)29(26)50-33)49-31-25(41)24(40)23(39)19(12-34)46-31/h4-11,14,18-19,21-32,34-35,38-41H,12-13H2,1-3H3/b9-6+/t14?,18?,19?,21?,22?,23?,24?,25?,26-,27?,28?,29-,30-,31?,32?,33+/m0/s1
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n/an/a 4.04E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...

J Enzyme Inhib Med Chem 23: 140-3 (2008)


Article DOI: 10.1080/14756360701342532
BindingDB Entry DOI: 10.7270/Q2JH3JRC
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase, 12R-type


(Homo sapiens (Human))		BDBM86091
PNG
(Buddlejoside A2, 6)
Show SMILES COc1ccc(\C=C\C(=O)OC2C(C)OC(O[C@@H]3C=C(CO)C4C3C=CO[C@H]4OC3OC(CO)C(O)C(O)C3O)C(OC(C)=O)C2O)cc1 |r,c:25,t:18|
Show InChI InChI=1S/C33H42O16/c1-15-29(48-23(37)9-6-17-4-7-19(42-3)8-5-17)28(41)30(45-16(2)36)33(44-15)46-21-12-18(13-34)24-20(21)10-11-43-31(24)49-32-27(40)26(39)25(38)22(14-35)47-32/h4-12,15,20-22,24-35,38-41H,13-14H2,1-3H3/b9-6+/t15?,20?,21-,22?,24?,25?,26?,27?,28?,29?,30?,31+,32?,33?/m1/s1
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n/an/a 4.19E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...

J Enzyme Inhib Med Chem 23: 140-3 (2008)


Article DOI: 10.1080/14756360701342532
BindingDB Entry DOI: 10.7270/Q2JH3JRC
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase, 12R-type


(Homo sapiens (Human))		BDBM86086
PNG
(Buddlejoside A, 1)
Show SMILES OCC1OC(O[C@@H]2OC=C[C@H]3[C@H](O)C=C(COC(=O)c4ccc(O)cc4)[C@@H]23)C(O)C(O)C1O |r,c:8,t:13|
Show InChI InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15?,16+,17?,18?,19?,21-,22?/m0/s1
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PubMed
n/an/a 4.43E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...

J Enzyme Inhib Med Chem 23: 140-3 (2008)


Article DOI: 10.1080/14756360701342532
BindingDB Entry DOI: 10.7270/Q2JH3JRC
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase, 12R-type


(Homo sapiens (Human))		BDBM86090
PNG
(Beta-gardiol, 5)
Show SMILES COC(=O)[C@@H]1C2C=C[C@@]3(O)CO[C@@H](O[C@@H]1O)C23 |r,c:6|
Show InChI InChI=1S/C11H14O6/c1-15-8(12)6-5-2-3-11(14)4-16-10(7(5)11)17-9(6)13/h2-3,5-7,9-10,13-14H,4H2,1H3/t5?,6-,7?,9-,10-,11+/m0/s1
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n/an/a 4.73E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...

J Enzyme Inhib Med Chem 23: 140-3 (2008)


Article DOI: 10.1080/14756360701342532
BindingDB Entry DOI: 10.7270/Q2JH3JRC
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase, 12R-type


(Homo sapiens (Human))		BDBM86089
PNG
(Genipin, 4)
Show SMILES COC(=O)C1=CO[C@@H](O)C2C(CO)C=CC12 |r,c:13,t:4|
Show InChI InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2-3,5-7,9,11-12,14H,4H2,1H3/t6?,7?,9?,11-/m1/s1
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n/an/a 4.96E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...

J Enzyme Inhib Med Chem 23: 140-3 (2008)


Article DOI: 10.1080/14756360701342532
BindingDB Entry DOI: 10.7270/Q2JH3JRC
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase, 12R-type


(Homo sapiens (Human))		BDBM86088
PNG
(Buddlejoside C, 3)
Show SMILES CC(C)CC(=O)OCC1=C[C@@H](O)[C@@H]2C=CC[C@H](OC3OC(CO)C(O)C(O)C3O)[C@H]12 |r,c:13,t:8|
Show InChI InChI=1S/C21H32O9/c1-10(2)6-16(24)28-9-11-7-13(23)12-4-3-5-14(17(11)12)29-21-20(27)19(26)18(25)15(8-22)30-21/h3-4,7,10,12-15,17-23,25-27H,5-6,8-9H2,1-2H3/t12-,13+,14-,15?,17+,18?,19?,20?,21?/m0/s1
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n/an/a 5.25E+4n/an/an/an/a8.025



Chinese Academy of Medical Sciences



Assay Description
Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method. Lipoxygenase type I-B and linoleic acid were purchased...

J Enzyme Inhib Med Chem 23: 140-3 (2008)


Article DOI: 10.1080/14756360701342532
BindingDB Entry DOI: 10.7270/Q2JH3JRC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%