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Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'kubrak' and Initial = 'd'   
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
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50242184
PNG
(Scalaradial)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9|
Show InChI InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human synovial fluid phospholipase A2 (HSF-PLA2) by monitoring hydrolysis of [3H]-arachidonic acid labeled E. co...


Bioorg Med Chem Lett 4: 1873-1878 (1994)


Article DOI: 10.1016/S0960-894X(01)80388-7
BindingDB Entry DOI: 10.7270/Q2SB45PR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50016627
PNG
(C,C,C-Trifluoro-N-[7-(quinolin-2-ylmethoxy)-naphth...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C21H15F3N2O3S/c22-21(23,24)30(27,28)26-17-8-5-14-7-10-19(12-16(14)11-17)29-13-18-9-6-15-3-1-2-4-20(15)25-18/h1-12,26H,13H2
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n/an/a 230n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound to inhibit 5-lipoxygenase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025771
PNG
(CHEMBL338408 | N-[3-(Benzothiazol-2-ylmethoxy)-phe...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2nc3ccccc3s2)c1
Show InChI InChI=1S/C19H18N2O5S/c1-25-19(23)10-9-18(22)21(24)13-5-4-6-14(11-13)26-12-17-20-15-7-2-3-8-16(15)27-17/h2-8,11,24H,9-10,12H2,1H3
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n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022203
PNG
(CHEMBL33734 | N-Hydroxy-N-[3-(naphthalen-2-ylmetho...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C22H21NO5/c1-27-22(25)12-11-21(24)23(26)19-7-4-8-20(14-19)28-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-10,13-14,26H,11-12,15H2,1H3
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022202
PNG
(CHEMBL284706 | N-Hydroxy-N-[3-(naphthalen-2-yloxym...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(COc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C22H21NO5/c1-27-22(25)12-11-21(24)23(26)19-8-4-5-16(13-19)15-28-20-10-9-17-6-2-3-7-18(17)14-20/h2-10,13-14,26H,11-12,15H2,1H3
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n/an/a 860n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006801
PNG
(CHEMBL287012 | N-Hydroxy-N-[3-(quinolin-2-ylmethox...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase.


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006801
PNG
(CHEMBL287012 | N-Hydroxy-N-[3-(quinolin-2-ylmethox...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006801
PNG
(CHEMBL287012 | N-Hydroxy-N-[3-(quinolin-2-ylmethox...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O5/c1-27-21(25)12-11-20(24)23(26)17-6-4-7-18(13-17)28-14-16-10-9-15-5-2-3-8-19(15)22-16/h2-10,13,26H,11-12,14H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022193
PNG
(CHEMBL285175 | N-[3-(Naphthalen-2-yloxymethyl)-phe...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(COc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C22H21NO4/c1-26-22(25)12-11-21(24)23-19-8-4-5-16(13-19)15-27-20-10-9-17-6-2-3-7-18(17)14-20/h2-10,13-14H,11-12,15H2,1H3,(H,23,24)
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n/an/a 1.91E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50006822
PNG
(1,1-Diethyl-3-{2-hydroxy-2-[3-(quinolin-2-ylmethox...)
Show SMILES CCN(CC)C(=O)N(C)C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H29N3O3/c1-4-27(5-2)24(29)26(3)16-23(28)19-10-8-11-21(15-19)30-17-20-14-13-18-9-6-7-12-22(18)25-20/h6-15,23,28H,4-5,16-17H2,1-3H3/t23-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022205
PNG
(CHEMBL34106 | N-[4-(Quinolin-2-ylmethoxy)-phenyl]-...)
Show SMILES COC(=O)CCC(=O)Nc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C21H20N2O4/c1-26-21(25)13-12-20(24)23-16-8-10-18(11-9-16)27-14-17-7-6-15-4-2-3-5-19(15)22-17/h2-11H,12-14H2,1H3,(H,23,24)
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022210
PNG
(CHEMBL289901 | N-[3-(Naphthalen-2-ylmethoxy)-pheny...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C22H21NO4/c1-26-22(25)12-11-21(24)23-19-7-4-8-20(14-19)27-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-10,13-14H,11-12,15H2,1H3,(H,23,24)
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit Prostaglandin G/H synthase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006820
PNG
(2-[3-(1H-Tetrazol-5-ylmethyl)-phenoxymethyl]-quino...)
Show SMILES C(Oc1cccc(Cc2nnn[nH]2)c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C18H15N5O/c1-2-7-17-14(5-1)8-9-15(19-17)12-24-16-6-3-4-13(10-16)11-18-20-22-23-21-18/h1-10H,11-12H2,(H,20,21,22,23)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 4.60E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound to inhibit 5-lipoxygenase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50282921
PNG
((1R,4bR,10aS,12S,12aS)-12-Acetoxy-4b,7,7,10a,12a-p...)
Show SMILES CC(=O)O[C@H]1CC2[C@@]3(C)CCCC(C)(C)C3CC[C@@]2(C)C2CC=C([C@H](C(O)=O)[C@@]12C)C(O)=O |c:24|
Show InChI InChI=1S/C27H40O6/c1-15(28)33-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16(22(29)30)21(23(31)32)27(18,20)6/h8,17-21H,7,9-14H2,1-6H3,(H,29,30)(H,31,32)/t17?,18?,19?,20-,21+,25-,26-,27+/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human synovial fluid phospholipase A2 (HSF-PLA2) by monitoring hydrolysis of [3H]-arachidonic acid labeled E. co...


Bioorg Med Chem Lett 4: 1873-1878 (1994)


Article DOI: 10.1016/S0960-894X(01)80388-7
BindingDB Entry DOI: 10.7270/Q2SB45PR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit Prostaglandin G/H synthase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022209
PNG
(CHEMBL33109 | N-[3-(Quinolin-2-ylmethoxy)-phenyl]-...)
Show SMILES COC(=O)C(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C19H16N2O4/c1-24-19(23)18(22)21-14-6-4-7-16(11-14)25-12-15-10-9-13-5-2-3-8-17(13)20-15/h2-11H,12H2,1H3,(H,21,22)
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n/an/a 5.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50022202
PNG
(CHEMBL284706 | N-Hydroxy-N-[3-(naphthalen-2-yloxym...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(COc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C22H21NO5/c1-27-22(25)12-11-21(24)23(26)19-8-4-5-16(13-19)15-28-20-10-9-17-6-2-3-7-18(17)14-20/h2-10,13-14,26H,11-12,15H2,1H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat polymorphonuclear leukocyte (PMN) Prostaglandin G/H synthase


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006821
PNG
(4-Methyl-N-[3-(quinolin-2-ylmethoxy)-benzoyl]-benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H20N2O4S/c1-17-9-13-22(14-10-17)31(28,29)26-24(27)19-6-4-7-21(15-19)30-16-20-12-11-18-5-2-3-8-23(18)25-20/h2-15H,16H2,1H3,(H,26,27)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase.


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022213
PNG
(CHEMBL285624 | N-[3-(Naphthalen-2-ylmethoxy)-pheny...)
Show SMILES COC(=O)C(=O)Nc1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C20H17NO4/c1-24-20(23)19(22)21-17-7-4-8-18(12-17)25-13-14-9-10-15-5-2-3-6-16(15)11-14/h2-12H,13H2,1H3,(H,21,22)
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n/an/a 6.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025770
PNG
(CHEMBL334848 | N-[3-(1-Methyl-1H-benzoimidazol-2-y...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(OCc2nc3ccccc3n2C)c1
Show InChI InChI=1S/C20H21N3O4/c1-23-17-9-4-3-8-16(17)22-18(23)13-27-15-7-5-6-14(12-15)21-19(24)10-11-20(25)26-2/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
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n/an/a 7.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50022203
PNG
(CHEMBL33734 | N-Hydroxy-N-[3-(naphthalen-2-ylmetho...)
Show SMILES COC(=O)CCC(=O)N(O)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C22H21NO5/c1-27-22(25)12-11-21(24)23(26)19-7-4-8-20(14-19)28-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-10,13-14,26H,11-12,15H2,1H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat polymorphonuclear leukocyte (PMN) Prostaglandin G/H synthase


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022207
PNG
(CHEMBL34672 | N-[2-Methyl-5-(quinolin-2-ylmethoxy)...)
Show SMILES COC(=O)CCC(=O)Nc1cc(OCc2ccc3ccccc3n2)ccc1C
Show InChI InChI=1S/C22H22N2O4/c1-15-7-10-18(13-20(15)24-21(25)11-12-22(26)27-2)28-14-17-9-8-16-5-3-4-6-19(16)23-17/h3-10,13H,11-12,14H2,1-2H3,(H,24,25)
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n/an/a 7.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by Prostaglandin G/H synthase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022197
PNG
(CHEMBL286178 | N-[3-(Naphthalen-2-ylmethoxy)-pheny...)
Show SMILES COC(=O)CC(=O)Nc1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C21H19NO4/c1-25-21(24)13-20(23)22-18-7-4-8-19(12-18)26-14-15-9-10-16-5-2-3-6-17(16)11-15/h2-12H,13-14H2,1H3,(H,22,23)
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n/an/a 9.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022200
PNG
(4-[3-(Quinolin-2-ylmethoxy)-phenylcarbamoyl]-butyr...)
Show SMILES COC(=O)CCCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H22N2O4/c1-27-22(26)11-5-10-21(25)24-17-7-4-8-19(14-17)28-15-18-13-12-16-6-2-3-9-20(16)23-18/h2-4,6-9,12-14H,5,10-11,15H2,1H3,(H,24,25)
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n/an/a 1.04E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50016627
PNG
(C,C,C-Trifluoro-N-[7-(quinolin-2-ylmethoxy)-naphth...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
Show InChI InChI=1S/C21H15F3N2O3S/c22-21(23,24)30(27,28)26-17-8-5-14-7-10-19(12-16(14)11-17)29-13-18-9-6-15-3-1-2-4-20(15)25-18/h1-12,26H,13H2
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n/an/a 1.19E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit Prostaglandin G/H synthase in the rat


J Med Chem 32: 1176-83 (1989)


BindingDB Entry DOI: 10.7270/Q2833R1T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022204
PNG
(CHEMBL34225 | N-[3-(Quinolin-2-ylmethoxy)-phenyl]-...)
Show SMILES CCOC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H22N2O4/c1-2-27-22(26)13-12-21(25)24-17-7-5-8-19(14-17)28-15-18-11-10-16-6-3-4-9-20(16)23-18/h3-11,14H,2,12-13,15H2,1H3,(H,24,25)
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n/an/a 1.26E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022194
PNG
(4-[3-(Naphthalen-2-ylmethoxy)-phenylcarbamoyl]-but...)
Show SMILES COC(=O)CCCC(=O)Nc1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H23NO4/c1-27-23(26)11-5-10-22(25)24-20-8-4-9-21(15-20)28-16-17-12-13-18-6-2-3-7-19(18)14-17/h2-4,6-9,12-15H,5,10-11,16H2,1H3,(H,24,25)
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n/an/a 1.26E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(RAT)
BDBM50006821
PNG
(4-Methyl-N-[3-(quinolin-2-ylmethoxy)-benzoyl]-benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H20N2O4S/c1-17-9-13-22(14-10-17)31(28,29)26-24(27)19-6-4-7-21(15-19)30-16-20-12-11-18-5-2-3-8-23(18)25-20/h2-15H,16H2,1H3,(H,26,27)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration that produces 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by Prostaglandin G/H synthase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022212
PNG
(CHEMBL33167 | N-Methyl-N-[3-(quinolin-2-ylmethoxy)...)
Show SMILES COC(=O)CCC(=O)N(C)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H22N2O4/c1-24(21(25)12-13-22(26)27-2)18-7-5-8-19(14-18)28-15-17-11-10-16-6-3-4-9-20(16)23-17/h3-11,14H,12-13,15H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025772
PNG
(1-[3-(Benzothiazol-2-ylmethoxy)-phenyl]-5-oxo-pyrr...)
Show SMILES COC(=O)C1CN(C(=O)C1)c1cccc(OCc2nc3ccccc3s2)c1
Show InChI InChI=1S/C20H18N2O4S/c1-25-20(24)13-9-19(23)22(11-13)14-5-4-6-15(10-14)26-12-18-21-16-7-2-3-8-17(16)27-18/h2-8,10,13H,9,11-12H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006813
PNG
(CHEMBL79453 | N-Methoxy-2-[3-(quinolin-2-ylmethoxy...)
Show SMILES CONC(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C19H18N2O3/c1-23-21-19(22)12-14-5-4-7-17(11-14)24-13-16-10-9-15-6-2-3-8-18(15)20-16/h2-11H,12-13H2,1H3,(H,21,22)
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n/an/a 1.42E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022198
PNG
(CHEMBL33465 | N-[2-Methyl-3-(quinolin-2-ylmethoxy)...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1C
Show InChI InChI=1S/C22H22N2O4/c1-15-18(24-21(25)12-13-22(26)27-2)8-5-9-20(15)28-14-17-11-10-16-6-3-4-7-19(16)23-17/h3-11H,12-14H2,1-2H3,(H,24,25)
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n/an/a 1.55E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025766
PNG
(CHEMBL130819 | N-[3-(Benzothiazol-2-ylmethoxy)-phe...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1
Show InChI InChI=1S/C19H18N2O4S/c1-24-19(23)10-9-17(22)20-13-5-4-6-14(11-13)25-12-18-21-15-7-2-3-8-16(15)26-18/h2-8,11H,9-10,12H2,1H3,(H,20,22)
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n/an/a 1.57E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the rat Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022201
PNG
(CHEMBL34676 | Sodium; 3-{hydroxy-[3-(naphthalen-2-...)
Show SMILES ON(C(=O)CCC([O-])=O)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C21H19NO5/c23-20(10-11-21(24)25)22(26)18-6-3-7-19(13-18)27-14-15-8-9-16-4-1-2-5-17(16)12-15/h1-9,12-13,26H,10-11,14H2,(H,24,25)/p-1
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n/an/a 1.57E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025769
PNG
(CHEMBL341255 | N-[3-(Benzothiazol-2-ylmethoxy)-phe...)
Show SMILES COC(=O)CC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1
Show InChI InChI=1S/C18H16N2O4S/c1-23-18(22)10-16(21)19-12-5-4-6-13(9-12)24-11-17-20-14-7-2-3-8-15(14)25-17/h2-9H,10-11H2,1H3,(H,19,21)
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025767
PNG
(CHEMBL131423 | N-[3-(Benzofuran-2-ylmethoxy)-pheny...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(OCc2cc3ccccc3o2)c1
Show InChI InChI=1S/C20H19NO5/c1-24-20(23)10-9-19(22)21-15-6-4-7-16(12-15)25-13-17-11-14-5-2-3-8-18(14)26-17/h2-8,11-12H,9-10,13H2,1H3,(H,21,22)
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n/an/a 1.79E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006816
PNG
((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of A-23,187-stimulated radiolabelled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase


J Med Chem 33: 240-5 (1990)


BindingDB Entry DOI: 10.7270/Q24Q7T0P
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50006816
PNG
((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
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n/an/a 1.89E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50006816
PNG
((LY-171883)1-{2-Hydroxy-3-propyl-4-[4-(1H-tetrazol...)
Show SMILES CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50022199
PNG
(CHEMBL33437 | N-[3-(Quinolin-2-ylmethoxy)-phenyl]-...)
Show SMILES CCOC(=O)CC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C21H20N2O4/c1-2-26-21(25)13-20(24)23-16-7-5-8-18(12-16)27-14-17-11-10-15-6-3-4-9-19(15)22-17/h3-12H,2,13-14H2,1H3,(H,23,24)
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n/an/a 1.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro


J Med Chem 29: 1429-35 (1986)


BindingDB Entry DOI: 10.7270/Q2GX49K4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025764
PNG
(5-Oxo-1-[3-(quinolin-2-ylmethoxy)-phenyl]-pyrrolid...)
Show SMILES COC(=O)C1CN(C(=O)C1)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H20N2O4/c1-27-22(26)16-11-21(25)24(13-16)18-6-4-7-19(12-18)28-14-17-10-9-15-5-2-3-8-20(15)23-17/h2-10,12,16H,11,13-14H2,1H3
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n/an/a 1.91E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50405505
PNG
(CHEMBL2115108)
Show SMILES CN1C[C@H](OC1=O)c1cccc(OCc2ccc3ccccc3n2)c1 |r|
Show InChI InChI=1S/C20H18N2O3/c1-22-12-19(25-20(22)23)15-6-4-7-17(11-15)24-13-16-10-9-14-5-2-3-8-18(14)21-16/h2-11,19H,12-13H2,1H3/t19-/m0/s1
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n/an/a 1.96E+4n/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase in guinea pig


J Med Chem 30: 2087-93 (1987)


BindingDB Entry DOI: 10.7270/Q2FQ9VMQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50025762
PNG
(CHEMBL130717 | N-[3-(Benzothiazol-2-ylmethoxy)-phe...)
Show SMILES COC(=O)CCC(=O)N(C)c1cccc(OCc2nc3ccccc3s2)c1
Show InChI InChI=1S/C20H20N2O4S/c1-22(19(23)10-11-20(24)25-2)14-6-5-7-15(12-14)26-13-18-21-16-8-3-4-9-17(16)27-18/h3-9,12H,10-11,13H2,1-2H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Lipoxygenase in vitro was determined


J Med Chem 30: 400-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K936JS
More data for this
Ligand-Target Pair
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