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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'amagata' and Initial = 't'   
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 15-lipoxygenase


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 110n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 180n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50242010
PNG
((+)-(5S,8S,9R,10S)-20-methoxypuupehenone | CHEMBL4...)
Show SMILES COC1=CC2=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)OC2=CC1=O |r,c:24,t:2,4|
Show InChI InChI=1S/C22H30O3/c1-20(2)8-6-9-21(3)18(20)7-10-22(4)19(21)12-14-11-17(24-5)15(23)13-16(14)25-22/h11-13,18-19H,6-10H2,1-5H3/t18-,19+,21-,22-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50242017
PNG
((+)-(5S,8S,10S)-20-methoxypuupehenol | (+)-(5S,8S,...)
Show SMILES CO[C@H]1[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)Oc2cc(O)c(OC)cc12 |r|
Show InChI InChI=1S/C23H34O4/c1-21(2)9-7-10-22(3)18(21)8-11-23(4)20(22)19(26-6)14-12-17(25-5)15(24)13-16(14)27-23/h12-13,18-20,24H,7-11H2,1-6H3/t18-,19+,20+,22-,23-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50240936
PNG
(2-[(2E,6E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohe...)
Show SMILES C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/Cc1cc(O)ccc1O |c:9|
Show InChI InChI=1S/C26H38O2/c1-19(11-13-22-18-23(27)14-16-25(22)28)8-6-9-20(2)12-15-24-21(3)10-7-17-26(24,4)5/h9,11,14,16,18,27-28H,6-8,10,12-13,15,17H2,1-5H3/b19-11+,20-9+
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n/an/a 300n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50206259
PNG
(CHEMBL230058 | hydrohalisulfate 1)
Show SMILES C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@H](O)C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C |r,c:23|
Show InChI InChI=1S/C31H48O3/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(34)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-34H,7-10,13,16-18,20H2,1-6H3/b21-11+/t23-,26+,28-,29+,31-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50065997
PNG
(5-[4-(3-hydroxy-4-methoxyphenyl)-2,3-dimethyl-(2R,...)
Show SMILES COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(O)c2)cc1O |r|
Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-19(23-3)17(21)11-15)14(2)10-16-6-8-20(24-4)18(22)12-16/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+
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n/an/a 580n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50240865
PNG
((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15|
Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1
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n/an/a 760n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50269763
PNG
((+)-(5S,8S,10S)-20-methoxy-9,15-ene-puupehenol | C...)
Show SMILES COc1cc2C=C3[C@H](CC[C@H]4C(C)(C)CCC[C@]34C)Oc2cc1O |r,c:5|
Show InChI InChI=1S/C21H28O3/c1-20(2)8-5-9-21(3)14-10-13-11-18(23-4)15(22)12-17(13)24-16(14)6-7-19(20)21/h10-12,16,19,22H,5-9H2,1-4H3/t16-,19-,21+/m0/s1
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n/an/a 780n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50269748
PNG
(21-chloro-puupehenone | CHEMBL465616 | chloropuupe...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)C(Cl)C3=C[C@H]21 |r,c:24,t:15|
Show InChI InChI=1S/C21H27ClO3/c1-19(2)7-5-8-20(3)15(19)6-9-21(4)16(20)10-12-14(25-21)11-13(23)18(24)17(12)22/h10-11,15-17H,5-9H2,1-4H3/t15-,16+,17?,20-,21-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50206257
PNG
(CHEMBL387584 | CHEMBL450482 | halisulfate 1 | sodi...)
Show SMILES C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O |r,c:22|
Show InChI InChI=1S/C31H48O6S/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36)/p-1/b21-11+/t23-,26+,28-,29+,31-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50269763
PNG
((+)-(5S,8S,10S)-20-methoxy-9,15-ene-puupehenol | C...)
Show SMILES COc1cc2C=C3[C@H](CC[C@H]4C(C)(C)CCC[C@]34C)Oc2cc1O |r,c:5|
Show InChI InChI=1S/C21H28O3/c1-20(2)8-5-9-21(3)14-10-13-11-18(23-4)15(22)12-17(13)24-16(14)6-7-19(20)21/h10-12,16,19,22H,5-9H2,1-4H3/t16-,19-,21+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50240937
PNG
((-)-jaspic acid | 4-Hydroxy-3-[(1S,4aS,5R,8aS)-2,5...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27|
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24-,26-,27+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50242010
PNG
((+)-(5S,8S,9R,10S)-20-methoxypuupehenone | CHEMBL4...)
Show SMILES COC1=CC2=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)OC2=CC1=O |r,c:24,t:2,4|
Show InChI InChI=1S/C22H30O3/c1-20(2)8-6-9-21(3)18(20)7-10-22(4)19(21)12-14-11-17(24-5)15(23)13-16(14)25-22/h11-13,18-19H,6-10H2,1-5H3/t18-,19+,21-,22-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50269748
PNG
(21-chloro-puupehenone | CHEMBL465616 | chloropuupe...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)C(Cl)C3=C[C@H]21 |r,c:24,t:15|
Show InChI InChI=1S/C21H27ClO3/c1-19(2)7-5-8-20(3)15(19)6-9-21(4)16(20)10-12-14(25-21)11-13(23)18(24)17(12)22/h10-11,15-17H,5-9H2,1-4H3/t15-,16+,17?,20-,21-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50240865
PNG
((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15|
Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50065997
PNG
(5-[4-(3-hydroxy-4-methoxyphenyl)-2,3-dimethyl-(2R,...)
Show SMILES COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(O)c2)cc1O |r|
Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-19(23-3)17(21)11-15)14(2)10-16-6-8-20(24-4)18(22)12-16/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50242017
PNG
((+)-(5S,8S,10S)-20-methoxypuupehenol | (+)-(5S,8S,...)
Show SMILES CO[C@H]1[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)Oc2cc(O)c(OC)cc12 |r|
Show InChI InChI=1S/C23H34O4/c1-21(2)9-7-10-22(3)18(21)8-11-23(4)20(22)19(26-6)14-12-17(25-5)15(24)13-16(14)27-23/h12-13,18-20,24H,7-11H2,1-6H3/t18-,19+,20+,22-,23-/m0/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50240937
PNG
((-)-jaspic acid | 4-Hydroxy-3-[(1S,4aS,5R,8aS)-2,5...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27|
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24-,26-,27+/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50269774
PNG
(CHEMBL457171 | subersic acid)
Show SMILES CC1(C)CCC[C@]2(C)[C@@H]1CCC1=C2CC\C(C1)=C\Cc1cc(ccc1O)C(O)=O |r,c:12|
Show InChI InChI=1S/C26H34O3/c1-25(2)13-4-14-26(3)21-10-6-17(15-18(21)9-12-23(25)26)5-7-19-16-20(24(28)29)8-11-22(19)27/h5,8,11,16,23,27H,4,6-7,9-10,12-15H2,1-3H3,(H,28,29)/b17-5-/t23-,26+/m1/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50241360
PNG
(CHEMBL442427 | igernellin)
Show SMILES C\C(CCC1C(C)=CCCC1(C)C)=C/CCC(CO)CCCc1ccoc1 |c:6|
Show InChI InChI=1S/C25H40O2/c1-20(13-14-24-21(2)9-7-16-25(24,3)4)8-5-10-22(18-26)11-6-12-23-15-17-27-19-23/h8-9,15,17,19,22,24,26H,5-7,10-14,16,18H2,1-4H3/b20-8+
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50269747
PNG
(CHEMBL465615 | hyrtenone A)
Show SMILES CO[C@H]1C[C@@]2(O)[C@@H](O1)C1=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)OC1=CC2=O |r,c:29,t:9|
Show InChI InChI=1S/C24H34O5/c1-21(2)8-6-9-22(3)16(21)7-10-23(4)17(22)11-14-15(29-23)12-18(25)24(26)13-19(27-5)28-20(14)24/h11-12,16-17,19-20,26H,6-10,13H2,1-5H3/t16-,17+,19+,20-,22-,23-,24-/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.01E+4n/an/an/an/an/a25



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Arg-His-Lys-Lys(epsilon-acetyl)-AMC at room temperature for 45 mins by fluorescent screening assay


J Nat Prod 75: 2193-9 (2012)


Article DOI: 10.1021/np300640g
BindingDB Entry DOI: 10.7270/Q2TH8NWS
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
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n/an/a 4.58E+4n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Arg-His-Lys-Lys(epsilon-acetyl)-AMC at 37 degC for 45 mins by fluorescent screening assay


J Nat Prod 75: 2193-9 (2012)


Article DOI: 10.1021/np300640g
BindingDB Entry DOI: 10.7270/Q2TH8NWS
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50269747
PNG
(CHEMBL465615 | hyrtenone A)
Show SMILES CO[C@H]1C[C@@]2(O)[C@@H](O1)C1=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)OC1=CC2=O |r,c:29,t:9|
Show InChI InChI=1S/C24H34O5/c1-21(2)8-6-9-22(3)16(21)7-10-23(4)17(22)11-14-15(29-23)12-18(25)24(26)13-19(27-5)28-20(14)24/h11-12,16-17,19-20,26H,6-10,13H2,1-5H3/t16-,17+,19+,20-,22-,23-,24-/m0/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50269775
PNG
(CHEMBL455880 | halenaquinol sulfate | halenaquinol...)
Show SMILES C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3c(O)ccc(OS([O-])(=O)=O)c3cc21 |r|
Show InChI InChI=1S/C20H14O8S/c1-20-5-4-15(22)12-8-27-19(17(12)20)18(23)11-6-9-10(7-13(11)20)16(3-2-14(9)21)28-29(24,25)26/h2-3,6-8,21H,4-5H2,1H3,(H,24,25,26)/p-1/t20-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50269775
PNG
(CHEMBL455880 | halenaquinol sulfate | halenaquinol...)
Show SMILES C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3c(O)ccc(OS([O-])(=O)=O)c3cc21 |r|
Show InChI InChI=1S/C20H14O8S/c1-20-5-4-15(22)12-8-27-19(17(12)20)18(23)11-6-9-10(7-13(11)20)16(3-2-14(9)21)28-29(24,25)26/h2-3,6-8,21H,4-5H2,1H3,(H,24,25,26)/p-1/t20-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50405320
PNG
(CHEMBL93746)
Show SMILES CC(C)(C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
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n/an/a 1.00E+6n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) by fluorescence assay


Bioorg Med Chem Lett 24: 349-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.004
BindingDB Entry DOI: 10.7270/Q2RR20Q6
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50403018
PNG
(CHEMBL2207877)
Show SMILES CC[C@@H]1CC(=O)[C@@H]2[C@@H](O)C(C)=CC[C@H]2[C@]1(C)C(=O)c1c(O)c[nH]c1O |r,c:10|
Show InChI InChI=1S/C19H25NO5/c1-4-10-7-12(21)14-11(6-5-9(2)16(14)23)19(10,3)17(24)15-13(22)8-20-18(15)25/h5,8,10-11,14,16,20,22-23,25H,4,6-7H2,1-3H3/t10-,11-,14-,16+,19-/m1/s1
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n/an/a 3.70E+6n/an/an/an/an/a25



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using Arg-His-Lys-Lys(epsilon-acetyl)-AMC at room temperature for 45 mins by fluorescent screening assay


J Nat Prod 75: 2193-9 (2012)


Article DOI: 10.1021/np300640g
BindingDB Entry DOI: 10.7270/Q2TH8NWS
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50403018
PNG
(CHEMBL2207877)
Show SMILES CC[C@@H]1CC(=O)[C@@H]2[C@@H](O)C(C)=CC[C@H]2[C@]1(C)C(=O)c1c(O)c[nH]c1O |r,c:10|
Show InChI InChI=1S/C19H25NO5/c1-4-10-7-12(21)14-11(6-5-9(2)16(14)23)19(10,3)17(24)15-13(22)8-20-18(15)25/h5,8,10-11,14,16,20,22-23,25H,4,6-7H2,1-3H3/t10-,11-,14-,16+,19-/m1/s1
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n/an/a 4.50E+6n/an/an/an/an/an/a



San Francisco State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Arg-His-Lys-Lys(epsilon-acetyl)-AMC at 37 degC for 45 mins by fluorescent screening assay


J Nat Prod 75: 2193-9 (2012)


Article DOI: 10.1021/np300640g
BindingDB Entry DOI: 10.7270/Q2TH8NWS
More data for this
Ligand-Target Pair