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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 270.2
BDBM50009001
Purchase
Wt: 309.3
BDBM50011934
Wt: 339.3
BDBM50011935
Wt: 324.3
BDBM50011936
Wt: 383.4
BDBM50011937
Wt: 315.3
BDBM50011938
Purchase
Wt: 323.3
BDBM50011930
Wt: 321.3
BDBM50011931
Purchase
Wt: 233.2
BDBM50011932
Wt: 337.3
BDBM50011933

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 82 hits in this display   
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
Cytochrome P450 1B1


(Homo sapiens)
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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260n/an/an/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin


Bioorg Med Chem 19: 2842-9 (2011)


Article DOI: 10.1016/j.bmc.2011.03.042
BindingDB Entry DOI: 10.7270/Q2V69JXK
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
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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600n/an/an/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 15-lipoxygenase


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
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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1.22E+3n/an/an/an/an/an/an/an/a



University of Crete

Curated by ChEMBL


Assay Description
Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin


Bioorg Med Chem 19: 2842-9 (2011)


Article DOI: 10.1016/j.bmc.2011.03.042
BindingDB Entry DOI: 10.7270/Q2V69JXK
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
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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1.60E+3n/an/an/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet-type 12-lipoxygenase


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
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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4.33E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
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 2.60n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase expressed in human Caco2 cells


J Nat Prod 61: 1413-5 (1999)


Article DOI: 10.1021/np980163p
BindingDB Entry DOI: 10.7270/Q2HX1CFB
More data for this
Ligand-Target Pair
Sucrase-isomaltase


(Homo sapiens)
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 3.5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human intestinal sucrase in human Caco2 cell membrane


J Nat Prod 61: 1413-5 (1999)


Article DOI: 10.1021/np980163p
BindingDB Entry DOI: 10.7270/Q2HX1CFB
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50011938
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-th...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O
Show InChI InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+
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n/an/a 13n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
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 15n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50011932
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid ethy...)
Show SMILES CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C12H11NO4/c1-2-17-12(16)9(7-13)5-8-3-4-10(14)11(15)6-8/h3-6,14-15H,2H2,1H3/b9-5+
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n/an/a 33n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50011934
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid phen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H15NO4/c19-12-15(10-14-6-7-16(20)17(21)11-14)18(22)23-9-8-13-4-2-1-3-5-13/h1-7,10-11,20-21H,8-9H2/b15-10+
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n/an/a 51n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50011930
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-ph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCc2ccccc2)cc1O
Show InChI InChI=1S/C19H17NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,21-22H,4,7,10H2/b16-11+
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n/an/a 53n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50011931
PNG
((2E)‐3‐phenylprop‐2‐enR...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OC\C=C\c2ccccc2)cc1O
Show InChI InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
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n/an/a 63n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50011935
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-(2...)
Show SMILES COc1ccccc1CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C19H17NO5/c1-24-18-5-3-2-4-14(18)8-9-25-19(23)15(12-20)10-13-6-7-16(21)17(22)11-13/h2-7,10-11,21-22H,8-9H2,1H3/b15-10+
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n/an/a 64n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50011938
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-th...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O
Show InChI InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+
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n/an/a 90n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 5-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50011935
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-(2...)
Show SMILES COc1ccccc1CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C19H17NO5/c1-24-18-5-3-2-4-14(18)8-9-25-19(23)15(12-20)10-13-6-7-16(21)17(22)11-13/h2-7,10-11,21-22H,8-9H2,1H3/b15-10+
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n/an/a 140n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 5-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50011934
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid phen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H15NO4/c19-12-15(10-14-6-7-16(20)17(21)11-14)18(22)23-9-8-13-4-2-1-3-5-13/h1-7,10-11,20-21H,8-9H2/b15-10+
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n/an/a 160n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 5-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50011930
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-ph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCc2ccccc2)cc1O
Show InChI InChI=1S/C19H17NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,21-22H,4,7,10H2/b16-11+
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n/an/a 160n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 5-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50011937
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 8-(3...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCCCCCCn2ccnc2)cc1O
Show InChI InChI=1S/C21H25N3O4/c22-15-18(13-17-7-8-19(25)20(26)14-17)21(27)28-12-6-4-2-1-3-5-10-24-11-9-23-16-24/h7-9,11,13-14,16,25-26H,1-6,10,12H2/b18-13+
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n/an/a 180n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50011933
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 4-ph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCCc2ccccc2)cc1O
Show InChI InChI=1S/C20H19NO4/c21-14-17(12-16-9-10-18(22)19(23)13-16)20(24)25-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,22-23H,4-5,8,11H2/b17-12+
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n/an/a 220n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 5-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase, type II


(Rattus norvegicus)
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 260n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase, type II


(Rattus norvegicus)
BDBM50011932
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid ethy...)
Show SMILES CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C12H11NO4/c1-2-17-12(16)9(7-13)5-8-3-4-10(14)11(15)6-8/h3-6,14-15H,2H2,1H3/b9-5+
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n/an/a 330n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase, type II


(Rattus norvegicus)
BDBM50011934
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid phen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H15NO4/c19-12-15(10-14-6-7-16(20)17(21)11-14)18(22)23-9-8-13-4-2-1-3-5-13/h1-7,10-11,20-21H,8-9H2/b15-10+
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n/an/a 430n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50011933
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 4-ph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCCc2ccccc2)cc1O
Show InChI InChI=1S/C20H19NO4/c21-14-17(12-16-9-10-18(22)19(23)13-16)20(24)25-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,22-23H,4-5,8,11H2/b17-12+
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n/an/a 470n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50011936
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-py...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCc2cccnc2)cc1O
Show InChI InChI=1S/C18H16N2O4/c19-11-15(9-14-5-6-16(21)17(22)10-14)18(23)24-8-2-4-13-3-1-7-20-12-13/h1,3,5-7,9-10,12,21-22H,2,4,8H2/b15-9+
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n/an/a 470n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase, type II


(Rattus norvegicus)
BDBM50011938
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-th...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O
Show InChI InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+
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n/an/a 500n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
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 780n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
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 850n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
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 860n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
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 1.20E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage


J Med Chem 38: 890-7 (1995)


Article DOI: 10.1021/jm00006a006
BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase, type II


(Rattus norvegicus)
BDBM50011930
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-ph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCc2ccccc2)cc1O
Show InChI InChI=1S/C19H17NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,21-22H,4,7,10H2/b16-11+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase, type II


(Rattus norvegicus)
BDBM50011935
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-(2...)
Show SMILES COc1ccccc1CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C19H17NO5/c1-24-18-5-3-2-4-14(18)8-9-25-19(23)15(12-20)10-13-6-7-16(21)17(22)11-13/h2-7,10-11,21-22H,8-9H2,1H3/b15-10+
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n/an/a 1.62E+3n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50011931
PNG
((2E)‐3‐phenylprop‐2‐enR...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OC\C=C\c2ccccc2)cc1O
Show InChI InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
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n/an/a 1.89E+3n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 5-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
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 2.20E+3n/an/an/an/an/an/a



Universite de Strasbourg



Assay Description
H-DXR was pre-incubated during 2 min in the presence of the inhibitors at different concentrations and DXP (480 M). NADPH (160 M final concentratio...


Bioorg Chem 59: 140-4 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q2XS5T4J
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (human))
BDBM50011931
PNG
((2E)‐3‐phenylprop‐2‐enR...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OC\C=C\c2ccccc2)cc1O
Show InChI InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
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n/an/a 2.23E+3n/an/an/an/a7.525



DePaul University



Assay Description
All assays were performed at 100 L total volume in triplicate and monitored for 60 minutes at room temperature in a 96-well plate format in HEPES Bu...


Chem Biol Drug Des 86: 1049-54 (2015)


Article DOI: 10.1111/cbdd.12572
BindingDB Entry DOI: 10.7270/Q2XK8D9W
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
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 2.70E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed ...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
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 2.79E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry


J Nat Prod 61: 71-6 (1998)


Article DOI: 10.1021/np970237h
BindingDB Entry DOI: 10.7270/Q29C6Z93
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
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 3.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of JMJD2E


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
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 3.30E+3n/an/an/an/a8.023



Universidad de Santiago de Chile



Assay Description
All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...


Chem Biol Drug Des 82: 317-25 (2013)


Article DOI: 10.1111/cbdd.12157
BindingDB Entry DOI: 10.7270/Q2PZ57F3
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
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 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cow milk xanthine oxidase


J Nat Prod 51: 345-348 (1988)


Article DOI: 10.1021/np50056a030
BindingDB Entry DOI: 10.7270/Q2DJ5FNN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase, type II


(Rattus norvegicus)
BDBM50011931
PNG
((2E)‐3‐phenylprop‐2‐enR...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OC\C=C\c2ccccc2)cc1O
Show InChI InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
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n/an/a 3.33E+3n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase, type II


(Rattus norvegicus)
BDBM50011933
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 4-ph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCCc2ccccc2)cc1O
Show InChI InChI=1S/C20H19NO4/c21-14-17(12-16-9-10-18(22)19(23)13-16)20(24)25-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,22-23H,4-5,8,11H2/b17-12+
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n/an/a 3.59E+3n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase, type II


(Rattus norvegicus)
BDBM50011936
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-py...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCc2cccnc2)cc1O
Show InChI InChI=1S/C18H16N2O4/c19-11-15(9-14-5-6-16(21)17(22)10-14)18(23)24-8-2-4-13-3-1-7-20-12-13/h1,3,5-7,9-10,12,21-22H,2,4,8H2/b15-9+
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n/an/a 3.93E+3n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 15-lipoxygenase in rat polymorphonuclear leukocytes


J Med Chem 34: 1503-5 (1991)


Article DOI: 10.1021/jm00108a039
BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
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 4.06E+3n/an/an/an/an/an/a



Konkuk University



Assay Description
The kinase assay was performed using the EMD Millipore KinaseProfiler service assay protocol. Aurora B kinase was supplied by EMD Millipore Corp. The...


Chem Biol Drug Des 85: 574-85 (2015)


Article DOI: 10.1111/cbdd.12445
BindingDB Entry DOI: 10.7270/Q2M61J08
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
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 4.30E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration


J Med Chem 38: 890-7 (1995)


Article DOI: 10.1021/jm00006a006
BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1


(Homo sapiens (Human))
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 4.40E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS method


Drug Metab Dispos 39: 322-9 (2011)


Article DOI: 10.1124/dmd.110.035030
BindingDB Entry DOI: 10.7270/Q2PC343R
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
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 6.53E+3n/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Cdk1/cyclin B


Bioorg Med Chem 16: 7128-33 (2008)


Article DOI: 10.1016/j.bmc.2008.06.055
BindingDB Entry DOI: 10.7270/Q2JQ11XQ
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1


(Homo sapiens (Human))
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 7.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS method


Drug Metab Dispos 39: 322-9 (2011)


Article DOI: 10.1124/dmd.110.035030
BindingDB Entry DOI: 10.7270/Q2PC343R
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
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 7.50E+3n/an/an/an/an/an/a



South China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior t...


Bioorg Med Chem 22: 3146-58 (2014)


Article DOI: 10.1016/j.bmc.2014.04.016
BindingDB Entry DOI: 10.7270/Q2XG9SPQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
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 9.10E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
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