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Compile Data Set for Download or QSAR

Found 84 hits of ph data with Target = '5-lipoxygenase/FLAP'   
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/FLAP


(Homo sapiens (human))
BDBM24554
PNG
(Pirinixic acid-based compound, 2c | ethyl 2-{[4-ch...)
Show SMILES CCOC(=O)CSc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1
Show InChI InChI=1S/C17H15ClN4O2S/c1-2-24-16(23)10-25-17-21-14(18)9-15(22-17)20-12-5-6-13-11(8-12)4-3-7-19-13/h3-9H,2,10H2,1H3,(H,20,21,22)
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PubMed
n/an/an/an/a 2.60E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24555
PNG
(2-{[4-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)pyr...)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
Show InChI InChI=1S/C15H14ClN3O2S/c16-12-7-13(19-15(18-12)22-8-14(20)21)17-11-6-2-4-9-3-1-5-10(9)11/h2,4,6-7H,1,3,5,8H2,(H,20,21)(H,17,18,19)
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n/an/an/an/a 3.90E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24556
PNG
(Pirinixic acid-based compound, 2h | ethyl 2-{[4-ch...)
Show SMILES CCOC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
Show InChI InChI=1S/C17H18ClN3O2S/c1-2-23-16(22)10-24-17-20-14(18)9-15(21-17)19-13-8-4-6-11-5-3-7-12(11)13/h4,6,8-9H,2-3,5,7,10H2,1H3,(H,19,20,21)
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n/an/an/an/a 3.20E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24557
PNG
(Pirinixic acid-based compound, 4b | ethyl 2-({4-ch...)
Show SMILES CCOC(=O)C(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)c1ccccc1
Show InChI InChI=1S/C22H22ClN3O2S/c1-4-28-21(27)20(16-10-6-5-7-11-16)29-22-25-18(23)13-19(26-22)24-17-12-8-9-14(2)15(17)3/h5-13,20H,4H2,1-3H3,(H,24,25,26)
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n/an/an/an/a 1.80E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24558
PNG
(Pirinixic acid-based compound, 4d | ethyl 2-{[4-ch...)
Show SMILES CCOC(=O)C(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)c1ccccc1
Show InChI InChI=1S/C23H19ClN4O2S/c1-2-30-22(29)21(15-7-4-3-5-8-15)31-23-27-19(24)14-20(28-23)26-17-10-11-18-16(13-17)9-6-12-25-18/h3-14,21H,2H2,1H3,(H,26,27,28)
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n/an/an/an/a 1.20E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24559
PNG
(Pirinixic acid-based compound, 5b | ethyl 2-{[4-ch...)
Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
Show InChI InChI=1S/C21H23ClN4O2S/c1-3-5-8-17(20(27)28-4-2)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,3-5,8H2,1-2H3,(H,24,25,26)
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n/an/an/an/a 1.10E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24560
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)
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n/an/an/an/a 4.10E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24561
PNG
(CHEMBL459722 | Pirinixic acid-based compound, 6d |...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
Show InChI InChI=1S/C23H27ClN4O2S/c1-3-5-6-7-10-19(22(29)30-4-2)31-23-27-20(24)15-21(28-23)26-17-11-12-18-16(14-17)9-8-13-25-18/h8-9,11-15,19H,3-7,10H2,1-2H3,(H,26,27,28)
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n/an/a 1.90E+4n/a 600n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24562
PNG
(Pirinixic acid-based compound, 6f | ethyl 2-{[4-ch...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1)C(=O)OCC
Show InChI InChI=1S/C23H26ClN3O3S/c1-3-5-6-7-10-19(22(28)29-4-2)31-23-26-20(24)15-21(27-23)30-17-11-12-18-16(14-17)9-8-13-25-18/h8-9,11-15,19H,3-7,10H2,1-2H3
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n/an/an/an/a 1.70E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24564
PNG
(2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O
Show InChI InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 3.40E+4n/an/an/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24565
PNG
(2-({4-chloro-6-[(quinolin-6-ylmethyl)amino]pyrimid...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(O)=O
Show InChI InChI=1S/C22H25ClN4O2S/c1-2-3-4-5-8-18(21(28)29)30-22-26-19(23)13-20(27-22)25-14-15-9-10-17-16(12-15)7-6-11-24-17/h6-7,9-13,18H,2-5,8,14H2,1H3,(H,28,29)(H,25,26,27)
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n/an/a 3.10E+4n/an/an/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24563
PNG
(Pirinixic acid-based compound, 6h | ethyl 2-({4-ch...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(=O)OCC
Show InChI InChI=1S/C24H29ClN4O2S/c1-3-5-6-7-10-20(23(30)31-4-2)32-24-28-21(25)15-22(29-24)27-16-17-11-12-19-18(14-17)9-8-13-26-19/h8-9,11-15,20H,3-7,10,16H2,1-2H3,(H,27,28,29)
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n/an/a 3.70E+4n/a 1.40E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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 200n/an/an/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/an/an/an/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22318
PNG
(2-piperazinyl-5-hydroxyindole, 3f | ethyl 5-hydrox...)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H23N3O3/c1-2-27-21(26)19-17-14-16(25)8-9-18(17)22-20(19)24-12-10-23(11-13-24)15-6-4-3-5-7-15/h3-9,14,22,25H,2,10-13H2,1H3
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n/an/a 3.10E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22320
PNG
(2-piperazinyl-5-methoxyindole, 7f | ethyl 5-methox...)
Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccccc2)n(C)c2ccc(OC)cc12
Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)21-19-16-18(28-3)10-11-20(19)24(2)22(21)26-14-12-25(13-15-26)17-8-6-5-7-9-17/h5-11,16H,4,12-15H2,1-3H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22321
PNG
(2-piperazinyl-5-hydroxyindole, 3g | ethyl 2-[4-(4-...)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C21H22FN3O3/c1-2-28-21(27)19-17-13-16(26)7-8-18(17)23-20(19)25-11-9-24(10-12-25)15-5-3-14(22)4-6-15/h3-8,13,23,26H,2,9-12H2,1H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22322
PNG
(2-piperazinyl-5-hydroxyindole, 3h | ethyl 2-[4-(4-...)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3O3/c1-2-28-21(27)19-17-13-16(26)7-8-18(17)23-20(19)25-11-9-24(10-12-25)15-5-3-14(22)4-6-15/h3-8,13,23,26H,2,9-12H2,1H3
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n/an/a 2.30E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22323
PNG
(2-piperazinyl-5-hydroxyindole, 3i | ethyl 2-(4-ben...)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O3/c1-2-28-22(27)20-18-14-17(26)8-9-19(18)23-21(20)25-12-10-24(11-13-25)15-16-6-4-3-5-7-16/h3-9,14,23,26H,2,10-13,15H2,1H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22324
PNG
(2-amino-5-hydroxyindole, 3j | ethyl 5-hydroxy-2-(p...)
Show SMILES CCOC(=O)c1c(Nc2ccccc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C17H16N2O3/c1-2-22-17(21)15-13-10-12(20)8-9-14(13)19-16(15)18-11-6-4-3-5-7-11/h3-10,18-20H,2H2,1H3
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n/an/a 2.30E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22325
PNG
(2-amino-5-hydroxyindole, 3k | ethyl 5-hydroxy-2-[(...)
Show SMILES CCOC(=O)c1c(Nc2ccc(C)cc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C18H18N2O3/c1-3-23-18(22)16-14-10-13(21)8-9-15(14)20-17(16)19-12-6-4-11(2)5-7-12/h4-10,19-21H,3H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22326
PNG
(2-amino-5-hydroxyindole, 3l | ethyl 5-hydroxy-2-[(...)
Show SMILES CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C19H20N2O3/c1-3-24-19(23)17-15-11-14(22)9-10-16(15)21-18(17)20-12(2)13-7-5-4-6-8-13/h4-12,20-22H,3H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22327
PNG
(2-aminoindole, 9a | methyl 2-[(1-phenylethyl)amino...)
Show SMILES COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C18H18N2O2/c1-12(13-8-4-3-5-9-13)19-17-16(18(21)22-2)14-10-6-7-11-15(14)20-17/h3-12,19-20H,1-2H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22328
PNG
(2-amino-5-hydroxyindole, 14 | methyl 5-hydroxy-2-[...)
Show SMILES COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C18H18N2O3/c1-11(12-6-4-3-5-7-12)19-17-16(18(22)23-2)14-10-13(21)8-9-15(14)20-17/h3-11,19-21H,1-2H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22329
PNG
(2-aminoindole, 9b | ethyl 2-[(1-phenylethyl)amino]...)
Show SMILES CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O2/c1-3-23-19(22)17-15-11-7-8-12-16(15)21-18(17)20-13(2)14-9-5-4-6-10-14/h4-13,20-21H,3H2,1-2H3
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n/an/a 9.80E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22330
PNG
(2-amino-5-hydroxyindole, 11 | 5-hydroxy-2-[(1-phen...)
Show SMILES CC(Nc1[nH]c2ccc(O)cc2c1C#N)c1ccccc1
Show InChI InChI=1S/C17H15N3O/c1-11(12-5-3-2-4-6-12)19-17-15(10-18)14-9-13(21)7-8-16(14)20-17/h2-9,11,19-21H,1H3
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n/an/a 1.00E+4n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22331
PNG
(2-amino-5-hydroxyindole, 3m | ethyl 2-[bis(prop-2-...)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N(CC=C)CC=C
Show InChI InChI=1S/C17H20N2O3/c1-4-9-19(10-5-2)16-15(17(21)22-6-3)13-11-12(20)7-8-14(13)18-16/h4-5,7-8,11,18,20H,1-2,6,9-10H2,3H3
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n/an/a 7.10E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22332
PNG
(2-amino-5-hydroxyindole, 3n | ethyl 2-[(3-chloroph...)
Show SMILES CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C17H15ClN2O3/c1-2-23-17(22)15-13-9-12(21)6-7-14(13)20-16(15)19-11-5-3-4-10(18)8-11/h3-9,19-21H,2H2,1H3
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n/an/a 300n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22333
PNG
(2-amino-5-hydroxyindole, 3o | ethyl 5-hydroxy-2-(p...)
Show SMILES CCOC(=O)c1c(Nc2cccnc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C16H15N3O3/c1-2-22-16(21)14-12-8-11(20)5-6-13(12)19-15(14)18-10-4-3-7-17-9-10/h3-9,18-20H,2H2,1H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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 150n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31103
PNG
(5-hydroxy-1H-indole-3-carboxylate, 37)
Show SMILES COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C16H13ClN2O3/c1-22-16(21)14-12-8-11(20)5-6-13(12)19-15(14)18-10-4-2-3-9(17)7-10/h2-8,18-20H,1H3
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n/an/a 300n/a 2.40E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31104
PNG
(2-substituted indole-3-carboxylate, 27a)
Show SMILES COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccccc12
Show InChI InChI=1S/C16H13ClN2O2/c1-21-16(20)14-12-7-2-3-8-13(12)19-15(14)18-11-6-4-5-10(17)9-11/h2-9,18-19H,1H3
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n/an/a 8.10E+3n/a 6.50E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31105
PNG
(2-substituted indole-3-carboxylate, 27b)
Show SMILES COC(=O)c1c(Nc2ccccc2Cl)[nH]c2ccccc12
Show InChI InChI=1S/C16H13ClN2O2/c1-21-16(20)14-10-6-2-4-8-12(10)18-15(14)19-13-9-5-3-7-11(13)17/h2-9,18-19H,1H3
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n/an/a 1.02E+4n/a 9.80E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31106
PNG
(2-substituted indole-3-carboxylate, 27c)
Show SMILES COC(=O)c1c(Nc2ccc(Cl)cc2)[nH]c2ccccc12
Show InChI InChI=1S/C16H13ClN2O2/c1-21-16(20)14-12-4-2-3-5-13(12)19-15(14)18-11-8-6-10(17)7-9-11/h2-9,18-19H,1H3
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n/an/a 9.80E+3n/a 7.20E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31107
PNG
(2-substituted indole-3-carboxylate, 27d)
Show SMILES COC(=O)c1c(Nc2cccc(F)c2)[nH]c2ccccc12
Show InChI InChI=1S/C16H13FN2O2/c1-21-16(20)14-12-7-2-3-8-13(12)19-15(14)18-11-6-4-5-10(17)9-11/h2-9,18-19H,1H3
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n/an/a 1.34E+4n/a 7.90E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31108
PNG
(2-substituted indole-3-carboxylate, 27e)
Show SMILES COC(=O)c1c(Nc2cccc(Br)c2)[nH]c2ccccc12
Show InChI InChI=1S/C16H13BrN2O2/c1-21-16(20)14-12-7-2-3-8-13(12)19-15(14)18-11-6-4-5-10(17)9-11/h2-9,18-19H,1H3
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n/an/a 8.30E+3n/a 3.50E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31109
PNG
(2-substituted indole-3-carboxylate, 27f)
Show SMILES COC(=O)c1c(NCc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C17H16N2O2/c1-21-17(20)15-13-9-5-6-10-14(13)19-16(15)18-11-12-7-3-2-4-8-12/h2-10,18-19H,11H2,1H3
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n/an/a 3.40E+3n/a 4.00E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31110
PNG
(2-substituted indole-3-carboxylate, 27g)
Show SMILES COC(=O)c1c(NCC=C)[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2O2/c1-3-8-14-12-11(13(16)17-2)9-6-4-5-7-10(9)15-12/h3-7,14-15H,1,8H2,2H3
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n/an/a>3.00E+4n/a>3.00E+4n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31111
PNG
(2-substituted indole-3-carboxylate, 27h)
Show SMILES COC(=O)c1c([nH]c2ccccc12)N(CC=C)CC=C
Show InChI InChI=1S/C16H18N2O2/c1-4-10-18(11-5-2)15-14(16(19)20-3)12-8-6-7-9-13(12)17-15/h4-9,17H,1-2,10-11H2,3H3
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n/an/a 6.90E+3n/a 1.25E+4n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31112
PNG
(2-substituted indole-3-carboxylate, 28)
Show SMILES COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C16H12Cl2N2O2/c1-22-16(21)14-12-8-10(18)5-6-13(12)20-15(14)19-11-4-2-3-9(17)7-11/h2-8,19-20H,1H3
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n/an/a 3.50E+3n/a 5.50E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31113
PNG
(5-hydroxy-1H-indole-3-carboxylate, 10a)
Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C18H16ClNO3/c1-2-23-18(22)17-14-10-13(21)6-7-15(14)20-16(17)9-11-4-3-5-12(19)8-11/h3-8,10,20-21H,2,9H2,1H3
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PubMed
n/an/a 2.00E+3n/a 1.70E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31114
PNG
(5-hydroxy-1H-indole-3-carboxylate, 10b)
Show SMILES CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C18H16ClNO3/c1-2-23-18(22)17-13-10-12(21)7-8-15(13)20-16(17)9-11-5-3-4-6-14(11)19/h3-8,10,20-21H,2,9H2,1H3
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PubMed
n/an/a 1.60E+3n/a 1.70E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31115
PNG
(5-hydroxy-1H-indole-3-carboxylate, 10c)
Show SMILES CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C18H16ClNO3/c1-2-23-18(22)17-14-10-13(21)7-8-15(14)20-16(17)9-11-3-5-12(19)6-4-11/h3-8,10,20-21H,2,9H2,1H3
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PubMed
n/an/a 1.20E+3n/a 700n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31116
PNG
(5-hydroxy-1H-indole-3-carboxylate, 10k)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H14ClNO3/c1-2-22-17(21)15-13-9-12(20)6-7-14(13)19-16(15)10-4-3-5-11(18)8-10/h3-9,19-20H,2H2,1H3
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PubMed
n/an/a 4.80E+3n/a 3.30E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31117
PNG
(5-hydroxy-1H-indole-3-carboxylate, 10l)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClNO3/c1-2-22-17(21)15-13-9-12(20)7-8-14(13)19-16(15)10-3-5-11(18)6-4-10/h3-9,19-20H,2H2,1H3
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PubMed
n/an/a 2.10E+3n/a 2.00E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31118
PNG
(5-hydroxy-1H-indole-3-carboxylate, 10m)
Show SMILES CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C19H18ClNO3/c1-2-24-19(23)18-15-11-14(22)7-9-16(15)21-17(18)8-6-12-4-3-5-13(20)10-12/h3-5,7,9-11,21-22H,2,6,8H2,1H3
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PubMed
n/an/a 1.70E+3n/a 2.80E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31119
PNG
(5-hydroxy-1H-indole-3-carboxylate, 10n)
Show SMILES CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C19H18ClNO3/c1-2-24-19(23)18-15-11-14(22)8-10-16(15)21-17(18)9-5-12-3-6-13(20)7-4-12/h3-4,6-8,10-11,21-22H,2,5,9H2,1H3
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PubMed
n/an/a 700n/a 3.90E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31120
PNG
(5-hydroxy-1H-indole-3-carboxylate, 10s)
Show SMILES CCOC(=O)c1c(CCc2ccccc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C19H19NO3/c1-2-23-19(22)18-15-12-14(21)9-11-16(15)20-17(18)10-8-13-6-4-3-5-7-13/h3-7,9,11-12,20-21H,2,8,10H2,1H3
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n/an/a 7.30E+3n/a 5.50E+3n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31121
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 14)
Show SMILES CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C21H17ClN2O3/c1-2-27-21(26)18-16-11-17(25)14-8-3-4-9-15(14)19(16)24-20(18)23-13-7-5-6-12(22)10-13/h3-11,23-25H,2H2,1H3
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PubMed
n/an/a 240n/a 710n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31122
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11a)
Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-17-12-19(25)15-8-3-4-9-16(15)21(17)24-18(20)11-13-6-5-7-14(23)10-13/h3-10,12,24-25H,2,11H2,1H3
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PubMed
n/an/a 86n/a 230n/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated...


J Med Chem 52: 3474-83 (2009)


Article DOI: 10.1021/jm900212y
BindingDB Entry DOI: 10.7270/Q2HM56S5
More data for this
Ligand-Target Pair
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