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Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'huang' and Initial = 'hs'   
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
5-lipoxygenase


(Bos taurus)
BDBM50060871
PNG
(4-Hydroxy-5-methoxy-10H-anthracen-9-one | CHEMBL12...)
Show SMILES COc1cccc2C(=O)c3cccc(O)c3Cc12
Show InChI InChI=1S/C15H12O3/c1-18-14-7-3-5-10-12(14)8-11-9(15(10)17)4-2-6-13(11)16/h2-7,16H,8H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052464
PNG
(1,8-Dihydroxy-10-(4-hydroxy-phenylsulfanyl)-10H-an...)
Show SMILES Oc1ccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1
Show InChI InChI=1S/C20H14O4S/c21-11-7-9-12(10-8-11)25-20-13-3-1-5-15(22)17(13)19(24)18-14(20)4-2-6-16(18)23/h1-10,20-23H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060860
PNG
(9(10H)-anthracenone | 9,10-dihydro-9-oxoanthracene...)
Show SMILES O=C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052466
PNG
(3-(4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-y...)
Show SMILES OC(=O)CCSC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C17H14O5S/c18-11-5-1-3-9-14(11)16(22)15-10(4-2-6-12(15)19)17(9)23-8-7-13(20)21/h1-6,17-19H,7-8H2,(H,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052462
PNG
(10-(2-Amino-phenylsulfanyl)-1,8-dihydroxy-10H-anth...)
Show SMILES Nc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C20H15NO3S/c21-13-7-1-2-10-16(13)25-20-11-5-3-8-14(22)17(11)19(24)18-12(20)6-4-9-15(18)23/h1-10,20,22-23H,21H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052457
PNG
(1,8-Dihydroxy-10-(2-hydroxy-ethylsulfanyl)-10H-ant...)
Show SMILES OCCSC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C16H14O4S/c17-7-8-21-16-9-3-1-5-11(18)13(9)15(20)14-10(16)4-2-6-12(14)19/h1-6,16-19H,7-8H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Mus musculus)
BDBM50052464
PNG
(1,8-Dihydroxy-10-(4-hydroxy-phenylsulfanyl)-10H-an...)
Show SMILES Oc1ccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1
Show InChI InChI=1S/C20H14O4S/c21-11-7-9-12(10-8-11)25-20-13-3-1-5-15(22)17(13)19(24)18-14(20)4-2-6-16(18)23/h1-10,20-23H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060855
PNG
(4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracene-2-car...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3Cc2c1
Show InChI InChI=1S/C15H10O5/c16-10-3-1-2-7-4-8-5-9(15(19)20)6-11(17)13(8)14(18)12(7)10/h1-3,5-6,16-17H,4H2,(H,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Mus musculus)
BDBM50052450
PNG
(1,8-Dihydroxy-10-(2-methoxy-phenylsulfanyl)-10H-an...)
Show SMILES COc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C21H16O4S/c1-25-16-10-2-3-11-17(16)26-21-12-6-4-8-14(22)18(12)20(24)19-13(21)7-5-9-15(19)23/h2-11,21-23H,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052470
PNG
(1,8-Dihydroxy-10-(4-methoxy-phenylsulfanyl)-10H-an...)
Show SMILES COc1ccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1
Show InChI InChI=1S/C21H16O4S/c1-25-12-8-10-13(11-9-12)26-21-14-4-2-6-16(22)18(14)20(24)19-15(21)5-3-7-17(19)23/h2-11,21-23H,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060898
PNG
(5,8-Dihydroxy-[1,4]naphthoquinone | 5,8-dihydroxy-...)
Show SMILES Oc1ccc(O)c2C(=O)C=CC(=O)c12 |c:9|
Show InChI InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50108929
PNG
(CHEMBL3596956)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2oc(=O)n(-c3cccc(c3)C#C)c(=O)c2c1
Show InChI InChI=1S/C22H11F2NO3/c1-2-13-4-3-5-16(10-13)25-21(26)18-11-14(6-9-20(18)28-22(25)27)17-8-7-15(23)12-19(17)24/h1,3-12H
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n/an/a 3.70E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse RANKL-induced TRAP activity in mouse RAW264.7 cells using 4-nitrophenyl phosphate as TRAP substrate preincubated for ...


Bioorg Med Chem 23: 4522-32 (2015)


Article DOI: 10.1016/j.bmc.2015.06.007
BindingDB Entry DOI: 10.7270/Q2V126KK
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060891
PNG
(1,2-Dihydroxy-10H-anthracen-9-one | CHEMBL123692)
Show SMILES Oc1ccc2Cc3ccccc3C(=O)c2c1O
Show InChI InChI=1S/C14H10O3/c15-11-6-5-9-7-8-3-1-2-4-10(8)13(16)12(9)14(11)17/h1-6,15,17H,7H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060858
PNG
(4,5-Dihydroxy-10H-anthracen-9-one | CHEMBL124951)
Show SMILES Oc1cccc2C(=O)c3cccc(O)c3Cc12
Show InChI InChI=1S/C14H10O3/c15-12-5-1-3-8-10(12)7-11-9(14(8)17)4-2-6-13(11)16/h1-6,15-16H,7H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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n/an/a 4.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060872
PNG
(3,4-Dihydroxy-10H-anthracen-9-one | CHEMBL121693)
Show SMILES Oc1ccc2C(=O)c3ccccc3Cc2c1O
Show InChI InChI=1S/C14H10O3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-6,15,17H,7H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060881
PNG
(10-Benzoyl-1,8-dihydroxy-10H-anthracen-9-one | CHE...)
Show SMILES Oc1cccc2C(C(=O)c3ccccc3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C21H14O4/c22-15-10-4-8-13-17(20(24)12-6-2-1-3-7-12)14-9-5-11-16(23)19(14)21(25)18(13)15/h1-11,17,22-23H
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n/an/a 4.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060867
PNG
(1,8-Dichloro-10H-anthracen-9-one | CHEMBL122022)
Show SMILES Clc1cccc2Cc3cccc(Cl)c3C(=O)c12
Show InChI InChI=1S/C14H8Cl2O/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6H,7H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50108928
PNG
(CHEMBL3596954)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2oc(=O)n(-c3cccc(c3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C21H10F5NO3/c22-13-5-6-15(17(23)10-13)11-4-7-18-16(8-11)19(28)27(20(29)30-18)14-3-1-2-12(9-14)21(24,25)26/h1-10H
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n/an/a 4.29E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse RANKL-induced TRAP activity in mouse RAW264.7 cells using 4-nitrophenyl phosphate as TRAP substrate preincubated for ...


Bioorg Med Chem 23: 4522-32 (2015)


Article DOI: 10.1016/j.bmc.2015.06.007
BindingDB Entry DOI: 10.7270/Q2V126KK
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50108927
PNG
(CHEMBL3596952)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2oc(=O)n(-c3cc(F)ccc3F)c(=O)c2c1 |(7.73,-3.69,;6.67,-3.07,;6.66,-1.53,;5.33,-.77,;4,-1.54,;4,-3.08,;2.93,-3.7,;5.33,-3.85,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-3.75,1.39,;-2.68,-.77,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.54,;-7.75,-.92,;-6.68,-3.08,;-5.35,-3.85,;-4.01,-3.08,;-2.95,-3.7,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,)|
Show InChI InChI=1S/C20H9F4NO3/c21-11-2-4-13(16(24)8-11)10-1-6-18-14(7-10)19(26)25(20(27)28-18)17-9-12(22)3-5-15(17)23/h1-9H
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n/an/a 4.31E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse RANKL-induced TRAP activity in mouse RAW264.7 cells using 4-nitrophenyl phosphate as TRAP substrate preincubated for ...


Bioorg Med Chem 23: 4522-32 (2015)


Article DOI: 10.1016/j.bmc.2015.06.007
BindingDB Entry DOI: 10.7270/Q2V126KK
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052456
PNG
(1,8-Dihydroxy-10-(2-hydroxy-phenylsulfanyl)-10H-an...)
Show SMILES Oc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C20H14O4S/c21-13-7-1-2-10-16(13)25-20-11-5-3-8-14(22)17(11)19(24)18-12(20)6-4-9-15(18)23/h1-10,20-23H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428824
PNG
(CHEMBL2336662)
Show SMILES O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCC(CCCC4CCNCC4)CC3)[nH]c21
Show InChI InChI=1S/C29H34N4O2/c34-28-21-6-1-2-7-22(21)29(35)26-23(28)8-9-24-27(26)32-25(31-24)18-33-16-12-20(13-17-33)5-3-4-19-10-14-30-15-11-19/h1-2,6-9,19-20,30H,3-5,10-18H2,(H,31,32)
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n/an/a 5.00E+3n/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TERT activity in human H1299 cells homogenates incubated for 5 mins by TRAP assay


Eur J Med Chem 60: 29-41 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.032
BindingDB Entry DOI: 10.7270/Q20P11DP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Mus musculus)
BDBM50052462
PNG
(10-(2-Amino-phenylsulfanyl)-1,8-dihydroxy-10H-anth...)
Show SMILES Nc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C20H15NO3S/c21-13-7-1-2-10-16(13)25-20-11-5-3-8-14(22)17(11)19(24)18-12(20)6-4-9-15(18)23/h1-10,20,22-23H,21H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052450
PNG
(1,8-Dihydroxy-10-(2-methoxy-phenylsulfanyl)-10H-an...)
Show SMILES COc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C21H16O4S/c1-25-16-10-2-3-11-17(16)26-21-12-6-4-8-14(22)18(12)20(24)19-13(21)7-5-9-15(19)23/h2-11,21-23H,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060901
PNG
(1,8-Dihydroxy-2-propionyl-10H-anthracen-9-one | CH...)
Show SMILES CCC(=O)c1ccc2Cc3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C17H14O4/c1-2-12(18)11-7-6-10-8-9-4-3-5-13(19)14(9)17(21)15(10)16(11)20/h3-7,19-20H,2,8H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060895
PNG
(Acetic acid 8-hydroxy-9-oxo-9,10-dihydro-anthracen...)
Show SMILES CC(=O)Oc1cccc2Cc3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C16H12O4/c1-9(17)20-13-7-3-5-11-8-10-4-2-6-12(18)14(10)16(19)15(11)13/h2-7,18H,8H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060884
PNG
(1,8-Dihydroxy-9-oxo-9,10-dihydro-anthracene-2-carb...)
Show SMILES Oc1cccc2Cc3ccc(C=O)c(O)c3C(=O)c12
Show InChI InChI=1S/C15H10O4/c16-7-10-5-4-9-6-8-2-1-3-11(17)12(8)15(19)13(9)14(10)18/h1-5,7,17-18H,6H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50068320
PNG
(2,7-Bis[3-(pyrrolidino)propionamido]anthraquinone ...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2C(=O)c3ccc(NC(=O)CCN4CCCC4)cc3C(=O)c2c1
Show InChI InChI=1S/C28H32N4O4/c33-25(9-15-31-11-1-2-12-31)29-19-5-7-21-23(17-19)28(36)24-18-20(6-8-22(24)27(21)35)30-26(34)10-16-32-13-3-4-14-32/h5-8,17-18H,1-4,9-16H2,(H,29,33)(H,30,34)
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n/an/a 6.70E+3n/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
Inhibition of G-quadruplex-induced human TERT in H1299 cells by TRAP assay


Bioorg Med Chem 16: 6976-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.072
BindingDB Entry DOI: 10.7270/Q27944HS
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060859
PNG
(4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracene-9-car...)
Show SMILES Oc1cccc2C(C=O)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C15H10O4/c16-7-10-8-3-1-5-11(17)13(8)15(19)14-9(10)4-2-6-12(14)18/h1-7,10,17-18H
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n/an/a 7.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052459
PNG
(10-(4-Amino-phenylsulfanyl)-1,8-dihydroxy-10H-anth...)
Show SMILES Nc1ccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1
Show InChI InChI=1S/C20H15NO3S/c21-11-7-9-12(10-8-11)25-20-13-3-1-5-15(22)17(13)19(24)18-14(20)4-2-6-16(18)23/h1-10,20,22-23H,21H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052460
PNG
(1,8-Dihydroxy-10-phenylsulfanyl-10H-anthracen-9-on...)
Show SMILES Oc1cccc2C(Sc3ccccc3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C20H14O3S/c21-15-10-4-8-13-17(15)19(23)18-14(9-5-11-16(18)22)20(13)24-12-6-2-1-3-7-12/h1-11,20-22H
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060899
PNG
(1,8-Dihydroxy-9-oxo-9,10-dihydro-anthracene-2-carb...)
Show SMILES Oc1cccc2Cc3ccc(C#N)c(O)c3C(=O)c12
Show InChI InChI=1S/C15H9NO3/c16-7-10-5-4-9-6-8-2-1-3-11(17)12(8)15(19)13(9)14(10)18/h1-5,17-18H,6H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060856
PNG
(4,5-Dimethoxy-10H-anthracen-9-one | CHEMBL125822)
Show SMILES COc1cccc2C(=O)c3cccc(OC)c3Cc12
Show InChI InChI=1S/C16H14O3/c1-18-14-7-3-5-10-12(14)9-13-11(16(10)17)6-4-8-15(13)19-2/h3-8H,9H2,1-2H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50068321
PNG
(2,7-Bis[3-(piperidino)propionamido]anthraquinone |...)
Show SMILES O=C(CCN1CCCCC1)Nc1ccc2C(=O)c3ccc(NC(=O)CCN4CCCCC4)cc3C(=O)c2c1
Show InChI InChI=1S/C30H36N4O4/c35-27(11-17-33-13-3-1-4-14-33)31-21-7-9-23-25(19-21)30(38)26-20-22(8-10-24(26)29(23)37)32-28(36)12-18-34-15-5-2-6-16-34/h7-10,19-20H,1-6,11-18H2,(H,31,35)(H,32,36)
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n/an/a 8.40E+3n/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
Inhibition of G-quadruplex-induced human TERT in H1299 cells by TRAP assay


Bioorg Med Chem 16: 6976-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.072
BindingDB Entry DOI: 10.7270/Q27944HS
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052471
PNG
(10-(2,3-Dihydroxy-propylsulfanyl)-1,8-dihydroxy-10...)
Show SMILES OCC(O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C17H16O5S/c18-7-9(19)8-23-17-10-3-1-5-12(20)14(10)16(22)15-11(17)4-2-6-13(15)21/h1-6,9,17-21H,7-8H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060868
PNG
(Acetic acid 8-acetoxy-9-oxo-9,10-dihydro-anthracen...)
Show SMILES CC(=O)Oc1cccc2Cc3cccc(OC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C18H14O5/c1-10(19)22-14-7-3-5-12-9-13-6-4-8-15(23-11(2)20)17(13)18(21)16(12)14/h3-8H,9H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428823
PNG
(CHEMBL2336666 | NSC-749235)
Show SMILES CN1CCN(Cc2nc3ccc4C(=O)c5ccccc5C(=O)c4c3[nH]2)CC1
Show InChI InChI=1S/C21H20N4O2/c1-24-8-10-25(11-9-24)12-17-22-16-7-6-15-18(19(16)23-17)21(27)14-5-3-2-4-13(14)20(15)26/h2-7H,8-12H2,1H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TERT activity in human H1299 cells homogenates incubated for 5 mins by TRAP assay


Eur J Med Chem 60: 29-41 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.032
BindingDB Entry DOI: 10.7270/Q20P11DP
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50125944
PNG
(CHEMBL3627832)
Show SMILES Clc1ccc2c(c1)sc1c(nc3ccccc3c1c2=O)N1CCNCC1
Show InChI InChI=1S/C20H16ClN3OS/c21-12-5-6-14-16(11-12)26-19-17(18(14)25)13-3-1-2-4-15(13)23-20(19)24-9-7-22-8-10-24/h1-6,11,22H,7-10H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant topoisomerase 2 alpha assessed as blocking of supercoiled pHOT DNA relaxation incubated for 45 mins at 37 degC by eth...


Eur J Med Chem 103: 615-27 (2015)


Article DOI: 10.1016/j.ejmech.2014.09.050
BindingDB Entry DOI: 10.7270/Q2D79D78
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50125944
PNG
(CHEMBL3627832)
Show SMILES Clc1ccc2c(c1)sc1c(nc3ccccc3c1c2=O)N1CCNCC1
Show InChI InChI=1S/C20H16ClN3OS/c21-12-5-6-14-16(11-12)26-19-17(18(14)25)13-3-1-2-4-15(13)23-20(19)24-9-7-22-8-10-24/h1-6,11,22H,7-10H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant topoisomerase 1 assessed as blocking of supercoiled pHOT DNA relaxation incubated for 25 mins at 37 degC by ethidium ...


Eur J Med Chem 103: 615-27 (2015)


Article DOI: 10.1016/j.ejmech.2014.09.050
BindingDB Entry DOI: 10.7270/Q2D79D78
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060873
PNG
(1,5-Dihydroxy-10H-anthracen-9-one | CHEMBL333452)
Show SMILES Oc1cccc2C(=O)c3c(O)cccc3Cc12
Show InChI InChI=1S/C14H10O3/c15-11-5-2-4-9-10(11)7-8-3-1-6-12(16)13(8)14(9)17/h1-6,15-16H,7H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50428822
PNG
(CHEMBL2336667)
Show SMILES CCN1CCN(Cc2nc3ccc4C(=O)c5ccccc5C(=O)c4c3[nH]2)CC1
Show InChI InChI=1S/C22H22N4O2/c1-2-25-9-11-26(12-10-25)13-18-23-17-8-7-16-19(20(17)24-18)22(28)15-6-4-3-5-14(15)21(16)27/h3-8H,2,9-13H2,1H3,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TERT activity in human H1299 cells homogenates incubated for 5 mins by TRAP assay


Eur J Med Chem 60: 29-41 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.032
BindingDB Entry DOI: 10.7270/Q20P11DP
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060900
PNG
(1,8,9-Trimethoxy-9,10-dihydro-anthracene | CHEMBL1...)
Show SMILES COC1c2c(Cc3cccc(OC)c13)cccc2OC
Show InChI InChI=1S/C17H18O3/c1-18-13-8-4-6-11-10-12-7-5-9-14(19-2)16(12)17(20-3)15(11)13/h4-9,17H,10H2,1-3H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50108930
PNG
(CHEMBL3335186)
Show SMILES Fc1cc(Cl)ccc1-n1c(=O)oc2ccccc2c1=O |(22.73,-16.85,;22.73,-15.31,;24.06,-14.54,;24.05,-13,;25.38,-12.22,;22.71,-12.23,;21.38,-13.01,;21.4,-14.54,;20.07,-15.31,;20.07,-16.87,;21.4,-17.64,;18.74,-17.64,;17.4,-16.87,;16.07,-17.64,;14.73,-16.87,;14.74,-15.33,;16.06,-14.56,;17.4,-15.32,;18.73,-14.55,;18.73,-13.01,)|
Show InChI InChI=1S/C14H7ClFNO3/c15-8-5-6-11(10(16)7-8)17-13(18)9-3-1-2-4-12(9)20-14(17)19/h1-7H
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n/an/a 1.06E+4n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse RANKL-induced TRAP activity in mouse RAW264.7 cells using 4-nitrophenyl phosphate as TRAP substrate preincubated for ...


Bioorg Med Chem 23: 4522-32 (2015)


Article DOI: 10.1016/j.bmc.2015.06.007
BindingDB Entry DOI: 10.7270/Q2V126KK
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060886
PNG
(1-Hydroxy-8-methoxy-10H-anthracen-9-one | CHEMBL12...)
Show SMILES COc1cccc2Cc3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C15H12O3/c1-18-12-7-3-5-10-8-9-4-2-6-11(16)13(9)15(17)14(10)12/h2-7,16H,8H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060887
PNG
(1-(2-Acetyl-benzyloxy)-8-hydroxy-10H-anthracen-9-o...)
Show SMILES CC(=O)c1ccccc1COc1cccc2Cc3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C23H18O4/c1-14(24)18-9-3-2-6-17(18)13-27-20-11-5-8-16-12-15-7-4-10-19(25)21(15)23(26)22(16)20/h2-11,25H,12-13H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060879
PNG
(1-Hydroxy-10H-anthracen-9-one | CHEMBL123161)
Show SMILES Oc1cccc2Cc3ccccc3C(=O)c12
Show InChI InChI=1S/C14H10O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-7,15H,8H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052469
PNG
((4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-yls...)
Show SMILES COC(=O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C17H14O5S/c1-22-13(20)8-23-17-9-4-2-6-11(18)14(9)16(21)15-10(17)5-3-7-12(15)19/h2-7,17-19H,8H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50060878
PNG
(1,3,8-Trihydroxy-6-methyl-10H-anthracen-9-one | CH...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3Cc2c1
Show InChI InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)


J Med Chem 40: 3773-80 (1997)


Article DOI: 10.1021/jm970292n
BindingDB Entry DOI: 10.7270/Q20R9NJN
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052473
PNG
(1,8-Dihydroxy-10-(3-methoxy-phenylsulfanyl)-10H-an...)
Show SMILES COc1cccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc23)c1
Show InChI InChI=1S/C21H16O4S/c1-25-12-5-2-6-13(11-12)26-21-14-7-3-9-16(22)18(14)20(24)19-15(21)8-4-10-17(19)23/h2-11,21-23H,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052458
PNG
(3-(4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-y...)
Show SMILES COC(=O)CCSC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C18H16O5S/c1-23-14(21)8-9-24-18-10-4-2-6-12(19)15(10)17(22)16-11(18)5-3-7-13(16)20/h2-7,18-20H,8-9H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
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