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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%


Citation and Details
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%


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


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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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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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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...


Citation and Details
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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Article
PubMed
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...


Citation and Details
More data for this
Ligand-Target Pair
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