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Compile Data Set for Download or QSAR

Found 77 hits of ec50 data for polymerid = 2259   
Target
(Institution)
LigandTarget
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))
BDBM50172379
PNG
((8E,10E)-(5S,9R)-20,20,20-Trifluoro-5,12-dihydroxy...)
Show SMILES O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC(F)(F)F
Show InChI InChI=1S/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
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n/an/an/an/a 3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit 5-lipoxygenase by 50%


J Med Chem 48: 5613-38 (2005)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50172379
PNG
((8E,10E)-(5S,9R)-20,20,20-Trifluoro-5,12-dihydroxy...)
Show SMILES O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC(F)(F)F
Show InChI InChI=1S/C20H29F3O4/c21-20(22,23)16-9-5-1-2-6-11-17(24)12-7-3-4-8-13-18(25)14-10-15-19(26)27/h2-4,6-8,12-13,17-18,24-25H,1,5,9-11,14-16H2,(H,26,27)/b4-3+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
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n/an/an/an/a 3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit 5-lipoxygenase by 50%


J Med Chem 48: 5613-38 (2005)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001187
PNG
(3-(5-Chloro-benzothiazol-2-ylsulfanyl)-N-hydroxy-N...)
Show SMILES CN(O)C(=O)CCSc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C11H11ClN2O2S2/c1-14(16)10(15)4-5-17-11-13-8-6-7(12)2-3-9(8)18-11/h2-3,6,16H,4-5H2,1H3
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n/an/an/an/a 20n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001176
PNG
(2-(5-Chloro-benzothiazol-2-ylsulfanyl)-ethylamine-...)
Show SMILES CN(O)C(=O)NCCSc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C11H12ClN3O2S2/c1-15(17)10(16)13-4-5-18-11-14-8-6-7(12)2-3-9(8)19-11/h2-3,6,17H,4-5H2,1H3,(H,13,16)
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n/an/an/an/a 20n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001181
PNG
(3-(Benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methyl-p...)
Show SMILES CN(O)C(=O)CCSc1nc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S2/c1-13(15)10(14)6-7-16-11-12-8-4-2-3-5-9(8)17-11/h2-5,15H,6-7H2,1H3
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n/an/an/an/a 39n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001171
PNG
(3-(Benzothiazol-2-ylsulfanyl)-propylamine-N-hydrox...)
Show SMILES CN(O)C(=O)NCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C12H15N3O2S2/c1-15(17)11(16)13-7-4-8-18-12-14-9-5-2-3-6-10(9)19-12/h2-3,5-6,17H,4,7-8H2,1H3,(H,13,16)
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n/an/an/an/a 45n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001168
PNG
(3-(Benzothiazol-2-ylsulfanyl)-propylamine-N-hydrox...)
Show SMILES CC(C)N(O)C(=O)NCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C14H19N3O2S2/c1-10(2)17(19)13(18)15-8-5-9-20-14-16-11-6-3-4-7-12(11)21-14/h3-4,6-7,10,19H,5,8-9H2,1-2H3,(H,15,18)
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n/an/an/an/a 70n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001180
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methyl-a...)
Show SMILES CN(O)C(=O)CSc1nc2ccccc2s1
Show InChI InChI=1S/C10H10N2O2S2/c1-12(14)9(13)6-15-10-11-7-4-2-3-5-8(7)16-10/h2-5,14H,6H2,1H3
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n/an/an/an/a 70n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001182
PNG
(2-(5-Chloro-benzothiazol-2-ylsulfanyl)-ethylamine-...)
Show SMILES CC(C)N(O)C(=O)NCCSc1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C13H16ClN3O2S2/c1-8(2)17(19)12(18)15-5-6-20-13-16-10-7-9(14)3-4-11(10)21-13/h3-4,7-8,19H,5-6H2,1-2H3,(H,15,18)
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n/an/an/an/a 70n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001183
PNG
(3-[5-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyr...)
Show SMILES COc1ccc(cc1)-n1nc(CCC(=O)N(C)O)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3
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n/an/an/an/a 70n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001169
PNG
(2-benzo[d][1,3]thiazol-2-ylsulfanyl-1-ethanamino-N...)
Show SMILES CN(O)C(=O)NCCSc1nc2ccccc2s1
Show InChI InChI=1S/C11H13N3O2S2/c1-14(16)10(15)12-6-7-17-11-13-8-4-2-3-5-9(8)18-11/h2-5,16H,6-7H2,1H3,(H,12,15)
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n/an/an/an/a 90n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001170
PNG
(5-ethyloxy-2-benzo[d][1,3]thiazol-2-ylsulfanyl-1-e...)
Show SMILES CCOc1ccc2nc(SCCNC(=O)N(C)O)sc2c1
Show InChI InChI=1S/C13H17N3O3S2/c1-3-19-9-4-5-10-11(8-9)21-13(15-10)20-7-6-14-12(17)16(2)18/h4-5,8,18H,3,6-7H2,1-2H3,(H,14,17)
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n/an/an/an/a 110n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001172
PNG
(2-benzo[d][1,3]thiazol-2-ylsulfanyl-1-ethanamino-N...)
Show SMILES CC(C)N(O)C(=O)NCCSc1nc2ccccc2s1
Show InChI InChI=1S/C13H17N3O2S2/c1-9(2)16(18)12(17)14-7-8-19-13-15-10-5-3-4-6-11(10)20-13/h3-6,9,18H,7-8H2,1-2H3,(H,14,17)
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n/an/an/an/a 130n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001179
PNG
(3-(Benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methyl-a...)
Show SMILES CN(O)C(=O)\C=C\Sc1nc2ccccc2s1
Show InChI InChI=1S/C11H10N2O2S2/c1-13(15)10(14)6-7-16-11-12-8-4-2-3-5-9(8)17-11/h2-7,15H,1H3/b7-6+
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n/an/an/an/a 130n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001184
PNG
(2-(6-Isopropyl-benzothiazol-2-ylsulfanyl)-ethylami...)
Show SMILES CC(C)c1ccc2nc(SCCNC(=O)N(C)O)sc2c1
Show InChI InChI=1S/C14H19N3O2S2/c1-9(2)10-4-5-11-12(8-10)21-14(16-11)20-7-6-15-13(18)17(3)19/h4-5,8-9,19H,6-7H2,1-3H3,(H,15,18)
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n/an/an/an/a 160n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

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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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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31133
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11l)
Show SMILES CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClNO3/c1-2-26-21(25)18-16-11-17(24)14-5-3-4-6-15(14)20(16)23-19(18)12-7-9-13(22)10-8-12/h3-11,23-24H,2H2,1H3
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n/an/a 67n/a 320n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31125
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11d)
Show SMILES CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18FNO3/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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n/an/a 140n/a 340n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31138
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11q)
Show SMILES Oc1cc2c(C(=O)OCc3ccccc3)c(Cc3cccc(Cl)c3)[nH]c2c2ccccc12
Show InChI InChI=1S/C27H20ClNO3/c28-19-10-6-9-18(13-19)14-23-25(27(31)32-16-17-7-2-1-3-8-17)22-15-24(30)20-11-4-5-12-21(20)26(22)29-23/h1-13,15,29-30H,14,16H2
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n/an/a 130n/a 350n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001177
PNG
(2-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-ethylamine-...)
Show SMILES CCOc1ccc2nc(SCCNC(=O)N(O)C(C)C)sc2c1
Show InChI InChI=1S/C15H21N3O3S2/c1-4-21-11-5-6-12-13(9-11)23-15(17-12)22-8-7-16-14(19)18(20)10(2)3/h5-6,9-10,20H,4,7-8H2,1-3H3,(H,16,19)
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n/an/an/an/a 390n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31136
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11o)
Show SMILES CCOC(=O)c1c(CCCc2ccccc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C24H23NO3/c1-2-28-24(27)22-19-15-21(26)17-12-6-7-13-18(17)23(19)25-20(22)14-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13,15,25-26H,2,8,11,14H2,1H3
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n/an/a 130n/a 440n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31127
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11f)
Show SMILES CCOC(=O)c1c(Cc2cccc(Br)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18BrNO3/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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n/an/a 150n/a 450n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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/an/an/a 470n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31139
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11r)
Show SMILES Oc1cc2c(C(=O)OCc3ccccc3)c(Cc3ccc(Cl)cc3)[nH]c2c2ccccc12
Show InChI InChI=1S/C27H20ClNO3/c28-19-12-10-17(11-13-19)14-23-25(27(31)32-16-18-6-2-1-3-7-18)22-15-24(30)20-8-4-5-9-21(20)26(22)29-23/h1-13,15,29-30H,14,16H2
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n/an/a 170n/a 480n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31134
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11m)
Show SMILES CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H20ClNO3/c1-2-28-23(27)21-18-13-20(26)16-8-3-4-9-17(16)22(18)25-19(21)11-10-14-6-5-7-15(24)12-14/h3-9,12-13,25-26H,2,10-11H2,1H3
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n/an/a 31n/a 490n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31126
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11e)
Show SMILES CCOC(=O)c1c(Cc2ccc(F)cc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18FNO3/c1-2-27-22(26)20-17-12-19(25)15-5-3-4-6-16(15)21(17)24-18(20)11-13-7-9-14(23)10-8-13/h3-10,12,24-25H,2,11H2,1H3
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n/an/a 96n/a 500n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31132
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11k)
Show SMILES CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H16ClNO3/c1-2-26-21(25)18-16-11-17(24)14-8-3-4-9-15(14)20(16)23-19(18)12-6-5-7-13(22)10-12/h3-11,23-24H,2H2,1H3
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n/an/a 45n/a 520n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31129
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11h)
Show SMILES CCOC(=O)c1c(Cc2cccc(OC)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H21NO4/c1-3-28-23(26)21-18-13-20(25)16-9-4-5-10-17(16)22(18)24-19(21)12-14-7-6-8-15(11-14)27-2/h4-11,13,24-25H,3,12H2,1-2H3
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n/an/a 130n/a 520n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001178
PNG
(2-(7-Chloro-benzothiazol-2-ylsulfanyl)-ethylamine-...)
Show SMILES CN(O)C(=O)NCCSc1nc2cccc(Cl)c2s1
Show InChI InChI=1S/C11H12ClN3O2S2/c1-15(17)10(16)13-5-6-18-11-14-8-4-2-3-7(12)9(8)19-11/h2-4,17H,5-6H2,1H3,(H,13,16)
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n/an/an/an/a 530n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31128
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11g)
Show SMILES CCOC(=O)c1c(Cc2ccc(Br)cc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18BrNO3/c1-2-27-22(26)20-17-12-19(25)15-5-3-4-6-16(15)21(17)24-18(20)11-13-7-9-14(23)10-8-13/h3-10,12,24-25H,2,11H2,1H3
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n/an/a 95n/a 600n/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)

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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31130
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11i)
Show SMILES CCOC(=O)c1c(Cc2ccc(OC)cc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H21NO4/c1-3-28-23(26)21-18-13-20(25)16-6-4-5-7-17(16)22(18)24-19(21)12-14-8-10-15(27-2)11-9-14/h4-11,13,24-25H,3,12H2,1-2H3
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n/an/a 150n/a 650n/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)

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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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)

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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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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50001175
PNG
(C-(Benzothiazol-2-ylsulfanyl)-methylamine-N-hydrox...)
Show SMILES CN(O)C(=O)NCSc1nc2ccccc2s1
Show InChI InChI=1S/C10H11N3O2S2/c1-13(15)9(14)11-6-16-10-12-7-4-2-3-5-8(7)17-10/h2-5,15H,6H2,1H3,(H,11,14)
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n/an/an/an/a 1.07E+3n/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.


J Med Chem 35: 3180-3 (1992)

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)

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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31124
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11c)
Show SMILES CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-17-12-19(25)15-5-3-4-6-16(15)21(17)24-18(20)11-13-7-9-14(23)10-8-13/h3-10,12,24-25H,2,11H2,1H3
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n/an/a 84n/a 1.20E+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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31123
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11b)
Show SMILES CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-16-12-19(25)14-8-4-5-9-15(14)21(16)24-18(20)11-13-7-3-6-10-17(13)23/h3-10,12,24-25H,2,11H2,1H3
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n/an/a 97n/a 1.20E+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)

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)

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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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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31131
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11j)
Show SMILES CCOC(=O)c1c(Cc2ccc(cc2)C(F)(F)F)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H18F3NO3/c1-2-30-22(29)20-17-12-19(28)15-5-3-4-6-16(15)21(17)27-18(20)11-13-7-9-14(10-8-13)23(24,25)26/h3-10,12,27-28H,2,11H2,1H3
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n/an/a 250n/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)

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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MMDB

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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)

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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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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31137
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11p)
Show SMILES CCOC(=O)c1c(Cc2ccc(Cl)cc2)n(Cc2ccccc2)c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C29H24ClNO3/c1-2-34-29(33)27-24-17-26(32)22-10-6-7-11-23(22)28(24)31(18-20-8-4-3-5-9-20)25(27)16-19-12-14-21(30)15-13-19/h3-15,17,32H,2,16,18H2,1H3
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n/an/a 650n/a 1.80E+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)

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)

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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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)

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)

More data for this
Ligand-Target Pair
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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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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM31135
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11n)
Show SMILES CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C23H20ClNO3/c1-2-28-23(27)21-18-13-20(26)16-5-3-4-6-17(16)22(18)25-19(21)12-9-14-7-10-15(24)11-8-14/h3-8,10-11,13,25-26H,2,9,12H2,1H3
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n/an/a 49n/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)

More data for this
Ligand-Target Pair
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