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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'aparoy' and Initial = 'p'   
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 5-lipoxygenase


(Homo sapiens (Human))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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n/an/a 220n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO (unknown origin)


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446419
PNG
(CHEMBL3109719)
Show SMILES COC1=CC(=O)C(Oc2ccc3ccccc3c2)=CC1=O |c:19,t:2|
Show InChI InChI=1S/C17H12O4/c1-20-16-9-15(19)17(10-14(16)18)21-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3
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n/an/a 280n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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n/an/a 300n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO (unknown origin) by cell based assay


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446413
PNG
(CHEMBL1668217)
Show SMILES O=C1CC(=O)C(Cc2ccc3ccccc3c2)=CC1=O |c:18|
Show InChI InChI=1S/C17H12O3/c18-15-10-17(20)16(19)9-14(15)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9H,8,10H2
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n/an/a 310n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using 40 uM of arachidonic acid as substrate preincubated for 15 ...


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 560n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO (unknown origin)


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 560n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446420
PNG
(CHEMBL3109730)
Show SMILES O=C1CC(=O)C(=O)C(CC2CCC3CCCCC3C2)C1=O
Show InChI InChI=1S/C17H22O4/c18-14-9-15(19)17(21)13(16(14)20)8-10-5-6-11-3-1-2-4-12(11)7-10/h10-13H,1-9H2
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n/an/a 580n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446413
PNG
(CHEMBL1668217)
Show SMILES O=C1CC(=O)C(Cc2ccc3ccccc3c2)=CC1=O |c:18|
Show InChI InChI=1S/C17H12O3/c18-15-10-17(20)16(19)9-14(15)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9H,8,10H2
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n/an/a 780n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446416
PNG
(CHEMBL3109717)
Show SMILES O=C1CC(=O)C(=CC1=O)c1cccc2c3ccccc3oc12 |c:5|
Show InChI InChI=1S/C18H10O4/c19-14-9-16(21)15(20)8-13(14)12-6-3-5-11-10-4-1-2-7-17(10)22-18(11)12/h1-8H,9H2
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n/an/a 800n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446413
PNG
(CHEMBL1668217)
Show SMILES O=C1CC(=O)C(Cc2ccc3ccccc3c2)=CC1=O |c:18|
Show InChI InChI=1S/C17H12O3/c18-15-10-17(20)16(19)9-14(15)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9H,8,10H2
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n/an/a 970n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using 5 uM of arachidonic acid as substrate preincubated for 15 m...


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO (unknown origin) by cell based assay


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446412
PNG
(CHEMBL3109718)
Show SMILES CCCCC=Cc1cc(O)c(O)cc1O |w:5.5|
Show InChI InChI=1S/C12H16O3/c1-2-3-4-5-6-9-7-11(14)12(15)8-10(9)13/h5-8,13-15H,2-4H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-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 1.50E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50006811
PNG
(2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...)
Show SMILES Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O |w:8.8|
Show InChI InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h12,14,22-24H,5,7-10,15H2,1-3H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446409
PNG
(CHEMBL3109724)
Show SMILES Oc1ccc(c(O)c1)-c1cccc2Sc3ccccc3Sc12
Show InChI InChI=1S/C18H12O2S2/c19-11-8-9-12(14(20)10-11)13-4-3-7-17-18(13)22-16-6-2-1-5-15(16)21-17/h1-10,19-20H
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446413
PNG
(CHEMBL1668217)
Show SMILES O=C1CC(=O)C(Cc2ccc3ccccc3c2)=CC1=O |c:18|
Show InChI InChI=1S/C17H12O3/c18-15-10-17(20)16(19)9-14(15)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9H,8,10H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446410
PNG
(CHEMBL3109722)
Show SMILES Oc1ccc(Cc2ccc3ccccc3c2)c(O)c1
Show InChI InChI=1S/C17H14O2/c18-16-8-7-15(17(19)11-16)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,18-19H,10H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446411
PNG
(CHEMBL501426)
Show SMILES Oc1ccc(c(O)c1)-c1ccccc1
Show InChI InChI=1S/C12H10O2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8,13-14H
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446412
PNG
(CHEMBL3109718)
Show SMILES CCCCC=Cc1cc(O)c(O)cc1O |w:5.5|
Show InChI InChI=1S/C12H16O3/c1-2-3-4-5-6-9-7-11(14)12(15)8-10(9)13/h5-8,13-15H,2-4H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446409
PNG
(CHEMBL3109724)
Show SMILES Oc1ccc(c(O)c1)-c1cccc2Sc3ccccc3Sc12
Show InChI InChI=1S/C18H12O2S2/c19-11-8-9-12(14(20)10-11)13-4-3-7-17-18(13)22-16-6-2-1-5-15(16)21-17/h1-10,19-20H
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50324109
PNG
(3,4,5-Trimethoxy-2',4'-di-O-prenylchalcone | CHEMB...)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])cc(-[#8]-[#6])c1-[#8]-[#6]
Show InChI InChI=1S/C28H34O6/c1-19(2)12-14-33-22-9-10-23(25(18-22)34-15-13-20(3)4)24(29)11-8-21-16-26(30-5)28(32-7)27(17-21)31-6/h8-13,16-18H,14-15H2,1-7H3/b11-8+
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446411
PNG
(CHEMBL501426)
Show SMILES Oc1ccc(c(O)c1)-c1ccccc1
Show InChI InChI=1S/C12H10O2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8,13-14H
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446418
PNG
(CHEMBL1668348)
Show SMILES [O-][N+](=O)c1cccc(c1)C1=CC(=O)C(=O)CC1=O |t:10|
Show InChI InChI=1S/C12H7NO5/c14-10-6-12(16)11(15)5-9(10)7-2-1-3-8(4-7)13(17)18/h1-5H,6H2
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446414
PNG
(CHEMBL3109723)
Show SMILES Oc1ccc(c(O)c1)-c1cccc2c1oc1ccccc21
Show InChI InChI=1S/C18H12O3/c19-11-8-9-12(16(20)10-11)14-5-3-6-15-13-4-1-2-7-17(13)21-18(14)15/h1-10,19-20H
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446419
PNG
(CHEMBL3109719)
Show SMILES COC1=CC(=O)C(Oc2ccc3ccccc3c2)=CC1=O |c:19,t:2|
Show InChI InChI=1S/C17H12O4/c1-20-16-9-15(19)17(10-14(16)18)21-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446402
PNG
(CHEMBL3109726)
Show SMILES Oc1ccc(C(=O)Cc2ccc3ccccc3c2)c(O)c1
Show InChI InChI=1S/C18H14O3/c19-15-7-8-16(18(21)11-15)17(20)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,19,21H,10H2
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446410
PNG
(CHEMBL3109722)
Show SMILES Oc1ccc(Cc2ccc3ccccc3c2)c(O)c1
Show InChI InChI=1S/C17H14O2/c18-16-8-7-15(17(19)11-16)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,18-19H,10H2
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50359871
PNG
(CHEMBL1929096)
Show SMILES CSc1ccc(COCC#CC(O)c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C21H24O2S/c1-16(2)18-8-10-19(11-9-18)21(22)5-4-14-23-15-17-6-12-20(24-3)13-7-17/h6-13,16,21-22H,14-15H2,1-3H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50324108
PNG
(3,4-Dimethoxy-2',4'-di-O-prenylchalcone | CHEMBL12...)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]-[#6]
Show InChI InChI=1S/C27H32O5/c1-19(2)13-15-31-22-9-10-23(26(18-22)32-16-14-20(3)4)24(28)11-7-21-8-12-25(29-5)27(17-21)30-6/h7-14,17-18H,15-16H2,1-6H3/b11-7+
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446417
PNG
(CHEMBL3109716)
Show SMILES OC(=O)c1ccc2cc(CC3=CC(=O)C(=O)CC3=O)ccc2c1 |t:10|
Show InChI InChI=1S/C18H12O5/c19-15-9-17(21)16(20)8-14(15)6-10-1-2-12-7-13(18(22)23)4-3-11(12)5-10/h1-5,7-8H,6,9H2,(H,22,23)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446415
PNG
(CHEMBL3109721)
Show SMILES Oc1ccc(Cc2ccccc2)c(O)c1
Show InChI InChI=1S/C13H12O2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2
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n/an/a 9.40E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446402
PNG
(CHEMBL3109726)
Show SMILES Oc1ccc(C(=O)Cc2ccc3ccccc3c2)c(O)c1
Show InChI InChI=1S/C18H14O3/c19-15-7-8-16(18(21)11-15)17(20)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,19,21H,10H2
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University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446403
PNG
(CHEMBL3109725)
Show SMILES Oc1ccc(-c2csc3ccccc23)c(O)c1
Show InChI InChI=1S/C14H10O2S/c15-9-5-6-10(13(16)7-9)12-8-17-14-4-2-1-3-11(12)14/h1-8,15-16H
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University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446404
PNG
(CHEMBL3109720)
Show SMILES Oc1ccc(c(O)c1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H9NO4/c14-10-4-5-11(12(15)7-10)8-2-1-3-9(6-8)13(16)17/h1-7,14-15H
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University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446405
PNG
(CHEMBL1668215)
Show SMILES O=C1CC(=O)C(Cc2ccccc2)=CC1=O |c:13|
Show InChI InChI=1S/C13H10O3/c14-11-8-13(16)12(15)7-10(11)6-9-4-2-1-3-5-9/h1-5,7H,6,8H2
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University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446406
PNG
(CHEMBL3109729)
Show SMILES O=C1CC(=O)C(=O)C(CC2CCCCC2)C1=O
Show InChI InChI=1S/C13H16O4/c14-10-7-11(15)13(17)9(12(10)16)6-8-4-2-1-3-5-8/h8-9H,1-7H2
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University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446407
PNG
(CHEMBL3109728)
Show SMILES COC1=CC(=O)C(=O)C(Cc2ccc3ccccc3c2)C1=O |t:2|
Show InChI InChI=1S/C18H14O4/c1-22-16-10-15(19)17(20)14(18(16)21)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,10,14H,9H2,1H3
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University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446408
PNG
(CHEMBL3109727)
Show SMILES COC1=CC(=O)C(=O)C(Cc2ccccc2)C1=O |t:2|
Show InChI InChI=1S/C14H12O4/c1-18-12-8-11(15)13(16)10(14(12)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
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University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50446402
PNG
(CHEMBL3109726)
Show SMILES Oc1ccc(C(=O)Cc2ccc3ccccc3c2)c(O)c1
Show InChI InChI=1S/C18H14O3/c19-15-7-8-16(18(21)11-15)17(20)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,19,21H,10H2
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University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50446409
PNG
(CHEMBL3109724)
Show SMILES Oc1ccc(c(O)c1)-c1cccc2Sc3ccccc3Sc12
Show InChI InChI=1S/C18H12O2S2/c19-11-8-9-12(14(20)10-11)13-4-3-7-17-18(13)22-16-6-2-1-5-15(16)21-17/h1-10,19-20H
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50292636
PNG
(4-hexyl resorcinol | ACRISORCIN | CHEMBL443605)
Show SMILES CCCCCCc1ccc(O)cc1O
Show InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50446410
PNG
(CHEMBL3109722)
Show SMILES Oc1ccc(Cc2ccc3ccccc3c2)c(O)c1
Show InChI InChI=1S/C17H14O2/c18-16-8-7-15(17(19)11-16)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,18-19H,10H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50446411
PNG
(CHEMBL501426)
Show SMILES Oc1ccc(c(O)c1)-c1ccccc1
Show InChI InChI=1S/C12H10O2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8,13-14H
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50446412
PNG
(CHEMBL3109718)
Show SMILES CCCCC=Cc1cc(O)c(O)cc1O |w:5.5|
Show InChI InChI=1S/C12H16O3/c1-2-3-4-5-6-9-7-11(14)12(15)8-10(9)13/h5-8,13-15H,2-4H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50446413
PNG
(CHEMBL1668217)
Show SMILES O=C1CC(=O)C(Cc2ccc3ccccc3c2)=CC1=O |c:18|
Show InChI InChI=1S/C17H12O3/c18-15-10-17(20)16(19)9-14(15)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,9H,8,10H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446403
PNG
(CHEMBL3109725)
Show SMILES Oc1ccc(-c2csc3ccccc23)c(O)c1
Show InChI InChI=1S/C14H10O2S/c15-9-5-6-10(13(16)7-9)12-8-17-14-4-2-1-3-11(12)14/h1-8,15-16H
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446414
PNG
(CHEMBL3109723)
Show SMILES Oc1ccc(c(O)c1)-c1cccc2c1oc1ccccc21
Show InChI InChI=1S/C18H12O3/c19-11-8-9-12(16(20)10-11)14-5-3-6-15-13-4-1-2-7-17(13)21-18(14)15/h1-10,19-20H
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
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