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PubMed code 1992126

Compile data set for download or QSAR
Found 54 hits of Enzyme Inhibition Constant Data   
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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010952
PNG
(2-(6-Hydroxy-1-pyridin-3-yl-hexyl)-3,5,6-trimethyl...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCO)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C20H25NO3/c1-13-14(2)20(24)18(15(3)19(13)23)17(9-5-4-6-11-22)16-8-7-10-21-12-16/h7-10,12,22-24H,4-6,11H2,1-3H3
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n/an/a 0.00000100n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50406422
PNG
(CHEMBL2115381)
Show SMILES CCCCCCCCCCCCCCCCCCOC1C(=O)O[C@H](C(O)CO)C1=O
Show InChI InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23-21(27)22(20(26)19-25)30-24(23)28/h20,22-23,25-26H,2-19H2,1H3/t20?,22-,23?/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010968
PNG
(3-(2,5-Dimethyl-3,6-dioxo-4-pyridin-3-ylmethyl-cyc...)
Show SMILES CCOC(=O)C=Cc1c(O)c(=C)c(Cc2cccnc2)c(O)c1=C
Show InChI InChI=1S/C19H19NO4/c1-4-24-17(21)8-7-15-12(2)19(23)16(13(3)18(15)22)10-14-6-5-9-20-11-14/h5-9,11,22-23H,2-4,10H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010960
PNG
((E)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid | 7-...)
Show SMILES OC(=O)CCCC\C=C(/c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+
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n/an/a 26n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010949
PNG
(8-Pyridin-3-yl-8-(2,4,5-trimethyl-3,6-dioxo-cycloh...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCCC(O)=O)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C22H27NO4/c1-14-15(2)22(27)20(16(3)21(14)26)18(17-9-8-12-23-13-17)10-6-4-5-7-11-19(24)25/h8-10,12-13,26-27H,4-7,11H2,1-3H3,(H,24,25)
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n/an/a 44n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50006803
PNG
(2,3,5-Trimethyl-6-pyridin-3-ylmethyl-[1,4]benzoqui...)
Show SMILES Cc1c(O)c(=Cc2cccnc2)c(C)c(O)c1=C
Show InChI InChI=1S/C15H15NO2/c1-9-10(2)15(18)13(11(3)14(9)17)7-12-5-4-6-16-8-12/h4-8,17-18H,1H2,2-3H3
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n/an/a 62n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010970
PNG
(7-Pyridin-3-yl-7-(2,4,5-trimethyl-3,6-dioxo-cycloh...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCC(O)=O)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C21H25NO4/c1-13-14(2)21(26)19(15(3)20(13)25)17(16-8-7-11-22-12-16)9-5-4-6-10-18(23)24/h7-9,11-12,25-26H,4-6,10H2,1-3H3,(H,23,24)
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n/an/a 63n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010958
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-heptyl)-[1,4]ben...)
Show SMILES CCCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C21H27NO2/c1-5-6-7-8-11-18(17-10-9-12-22-13-17)19-16(4)20(23)14(2)15(3)21(19)24/h9-13,23-24H,5-8H2,1-4H3
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n/an/a 73n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010961
PNG
(2-Methyl-3-pyridin-3-ylmethyl-[1,4]naphthoquinone ...)
Show SMILES CC1=C(Cc2cccnc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H13NO2/c1-11-15(9-12-5-4-8-18-10-12)17(20)14-7-3-2-6-13(14)16(11)19/h2-8,10H,9H2,1H3
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n/an/a 82n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010945
PNG
(Acetic acid 6-pyridin-3-yl-6-(2,4,5-trimethyl-3,6-...)
Show SMILES CC(=O)OCCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C22H27NO4/c1-14-15(2)22(26)20(16(3)21(14)25)19(18-9-8-11-23-13-18)10-6-5-7-12-27-17(4)24/h8-11,13,25-26H,5-7,12H2,1-4H3
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n/an/a 87n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010947
PNG
(6-Pyridin-3-yl-6-(2,4,5-trimethyl-3,6-dioxo-cycloh...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCC(O)=O)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C20H23NO4/c1-12-13(2)20(25)18(14(3)19(12)24)16(8-4-5-9-17(22)23)15-7-6-10-21-11-15/h6-8,10-11,24-25H,4-5,9H2,1-3H3,(H,22,23)
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n/an/a 89n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50006811
PNG
(2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...)
Show SMILES Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O
Show InChI InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h12,14,22-24H,5,7-10,15H2,1-3H3
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n/an/a 90n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010952
PNG
(2-(6-Hydroxy-1-pyridin-3-yl-hexyl)-3,5,6-trimethyl...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCO)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C20H25NO3/c1-13-14(2)20(24)18(15(3)19(13)23)17(9-5-4-6-11-22)16-8-7-10-21-12-16/h7-10,12,22-24H,4-6,11H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010944
PNG
(2-(5-Hydroxy-1-pyridin-3-yl-pentyl)-3,5,6-trimethy...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCO)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C19H23NO3/c1-12-13(2)19(23)17(14(3)18(12)22)16(8-4-5-10-21)15-7-6-9-20-11-15/h6-9,11,21-23H,4-5,10H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010966
PNG
(7-Pyridin-3-yl-7-(2,4,5-trimethyl-3,6-dioxo-cycloh...)
Show SMILES Cc1c(O)c(=C)c(C(=CCCCCC(O)=O)c2cccnc2)c(O)c1=C
Show InChI InChI=1S/C21H23NO4/c1-13-14(2)21(26)19(15(3)20(13)25)17(16-8-7-11-22-12-16)9-5-4-6-10-18(23)24/h7-9,11-12,25-26H,2-6,10H2,1H3,(H,23,24)
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n/an/a 180n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010951
PNG
(Acetic acid 5-pyridin-3-yl-5-(2,4,5-trimethyl-3,6-...)
Show SMILES CC(=O)OCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C21H25NO4/c1-13-14(2)21(25)19(15(3)20(13)24)18(17-8-7-10-22-12-17)9-5-6-11-26-16(4)23/h7-10,12,24-25H,5-6,11H2,1-4H3
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n/an/a 250n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50006803
PNG
(2,3,5-Trimethyl-6-pyridin-3-ylmethyl-[1,4]benzoqui...)
Show SMILES Cc1c(O)c(=Cc2cccnc2)c(C)c(O)c1=C
Show InChI InChI=1S/C15H15NO2/c1-9-10(2)15(18)13(11(3)14(9)17)7-12-5-4-6-16-8-12/h4-8,17-18H,1H2,2-3H3
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n/an/a 400n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010961
PNG
(2-Methyl-3-pyridin-3-ylmethyl-[1,4]naphthoquinone ...)
Show SMILES CC1=C(Cc2cccnc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H13NO2/c1-11-15(9-12-5-4-8-18-10-12)17(20)14-7-3-2-6-13(14)16(11)19/h2-8,10H,9H2,1H3
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n/an/a 490n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010950
PNG
(3-(2,5-Dimethyl-3,6-dioxo-4-pyridin-3-ylmethyl-cyc...)
Show SMILES OC(=O)C=Cc1c(O)c(=C)c(Cc2cccnc2)c(O)c1=C
Show InChI InChI=1S/C17H15NO4/c1-10-13(5-6-15(19)20)16(21)11(2)14(17(10)22)8-12-4-3-7-18-9-12/h3-7,9,21-22H,1-2,8H2,(H,19,20)
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n/an/a 500n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010957
PNG
(2-Methyl-3-{2-[pyridin-3-yl-(2,4,5-trimethyl-3,6-d...)
Show SMILES CC(=Cc1cccc(c1)C(c1cccnc1)=c1c(C)c(O)c(=C)c(C)c1O)C(O)=O
Show InChI InChI=1S/C25H23NO4/c1-14(25(29)30)11-18-7-5-8-19(12-18)22(20-9-6-10-26-13-20)21-17(4)23(27)15(2)16(3)24(21)28/h5-13,27-28H,2H2,1,3-4H3,(H,29,30)
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n/an/a 520n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010958
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-heptyl)-[1,4]ben...)
Show SMILES CCCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C21H27NO2/c1-5-6-7-8-11-18(17-10-9-12-22-13-17)19-16(4)20(23)14(2)15(3)21(19)24/h9-13,23-24H,5-8H2,1-4H3
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n/an/a 600n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010946
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-hept-1-enyl)-[1,...)
Show SMILES CCCCCC=C(c1cccnc1)c1c(O)c(=C)c(C)c(O)c1=C
Show InChI InChI=1S/C21H25NO2/c1-5-6-7-8-11-18(17-10-9-12-22-13-17)19-16(4)20(23)14(2)15(3)21(19)24/h9-13,23-24H,3-8H2,1-2H3
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n/an/a 620n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010953
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-propyl)-[1,4]ben...)
Show SMILES CC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C17H19NO2/c1-5-14(13-7-6-8-18-9-13)15-12(4)16(19)10(2)11(3)17(15)20/h5-9,19-20H,1-4H3
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n/an/a 660n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50006803
PNG
(2,3,5-Trimethyl-6-pyridin-3-ylmethyl-[1,4]benzoqui...)
Show SMILES Cc1c(O)c(=Cc2cccnc2)c(C)c(O)c1=C
Show InChI InChI=1S/C15H15NO2/c1-9-10(2)15(18)13(11(3)14(9)17)7-12-5-4-6-16-8-12/h4-8,17-18H,1H2,2-3H3
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n/an/a 680n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010954
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-ethyl)-[1,4]benz...)
Show SMILES Cc1c(C)c(O)c(C(=C)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C16H17NO2/c1-9-10(2)16(19)14(12(4)15(9)18)11(3)13-6-5-7-17-8-13/h5-8,18-19H,3H2,1-2,4H3
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n/an/a 720n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010954
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-ethyl)-[1,4]benz...)
Show SMILES Cc1c(C)c(O)c(C(=C)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C16H17NO2/c1-9-10(2)16(19)14(12(4)15(9)18)11(3)13-6-5-7-17-8-13/h5-8,18-19H,3H2,1-2,4H3
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n/an/a 720n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010952
PNG
(2-(6-Hydroxy-1-pyridin-3-yl-hexyl)-3,5,6-trimethyl...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCO)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C20H25NO3/c1-13-14(2)20(24)18(15(3)19(13)23)17(9-5-4-6-11-22)16-8-7-10-21-12-16/h7-10,12,22-24H,4-6,11H2,1-3H3
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n/an/a 820n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010951
PNG
(Acetic acid 5-pyridin-3-yl-5-(2,4,5-trimethyl-3,6-...)
Show SMILES CC(=O)OCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C21H25NO4/c1-13-14(2)21(25)19(15(3)20(13)24)18(17-8-7-10-22-12-17)9-5-6-11-26-16(4)23/h7-10,12,24-25H,5-6,11H2,1-4H3
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n/an/a 820n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010956
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-pentyl)-[1,4]ben...)
Show SMILES CCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C19H23NO2/c1-5-6-9-16(15-8-7-10-20-11-15)17-14(4)18(21)12(2)13(3)19(17)22/h7-11,21-22H,5-6H2,1-4H3
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n/an/a 830n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010953
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-propyl)-[1,4]ben...)
Show SMILES CC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C17H19NO2/c1-5-14(13-7-6-8-18-9-13)15-12(4)16(19)10(2)11(3)17(15)20/h5-9,19-20H,1-4H3
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n/an/a 830n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010956
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-pentyl)-[1,4]ben...)
Show SMILES CCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C19H23NO2/c1-5-6-9-16(15-8-7-10-20-11-15)17-14(4)18(21)12(2)13(3)19(17)22/h7-11,21-22H,5-6H2,1-4H3
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n/an/a 840n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010953
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-propyl)-[1,4]ben...)
Show SMILES CC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C17H19NO2/c1-5-14(13-7-6-8-18-9-13)15-12(4)16(19)10(2)11(3)17(15)20/h5-9,19-20H,1-4H3
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n/an/a 840n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010948
PNG
(2,3,5-Trimethyl-6-(phenyl-pyridin-3-yl-methyl)-[1,...)
Show SMILES Cc1c(O)c(=C(c2ccccc2)c2cccnc2)c(C)c(O)c1=C
Show InChI InChI=1S/C21H19NO2/c1-13-14(2)21(24)18(15(3)20(13)23)19(16-8-5-4-6-9-16)17-10-7-11-22-12-17/h4-12,23-24H,1H2,2-3H3
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n/an/a 860n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010946
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-hept-1-enyl)-[1,...)
Show SMILES CCCCCC=C(c1cccnc1)c1c(O)c(=C)c(C)c(O)c1=C
Show InChI InChI=1S/C21H25NO2/c1-5-6-7-8-11-18(17-10-9-12-22-13-17)19-16(4)20(23)14(2)15(3)21(19)24/h9-13,23-24H,3-8H2,1-2H3
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n/an/a 860n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010945
PNG
(Acetic acid 6-pyridin-3-yl-6-(2,4,5-trimethyl-3,6-...)
Show SMILES CC(=O)OCCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C22H27NO4/c1-14-15(2)22(26)20(16(3)21(14)25)19(18-9-8-11-23-13-18)10-6-5-7-12-27-17(4)24/h8-11,13,25-26H,5-7,12H2,1-4H3
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n/an/a 870n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010944
PNG
(2-(5-Hydroxy-1-pyridin-3-yl-pentyl)-3,5,6-trimethy...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCO)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C19H23NO3/c1-12-13(2)19(23)17(14(3)18(12)22)16(8-4-5-10-21)15-7-6-9-20-11-15/h6-9,11,21-23H,4-5,10H2,1-3H3
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n/an/a 920n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010945
PNG
(Acetic acid 6-pyridin-3-yl-6-(2,4,5-trimethyl-3,6-...)
Show SMILES CC(=O)OCCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C22H27NO4/c1-14-15(2)22(26)20(16(3)21(14)25)19(18-9-8-11-23-13-18)10-6-5-7-12-27-17(4)24/h8-11,13,25-26H,5-7,12H2,1-4H3
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n/an/a 950n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010959
PNG
(3-(2,5-Dimethyl-3,6-dioxo-4-pyridin-3-ylmethyl-cyc...)
Show SMILES Cc1c(O)c(C=CC(O)=O)c(C)c(O)c1Cc1cccnc1
Show InChI InChI=1S/C17H17NO4/c1-10-13(5-6-15(19)20)16(21)11(2)14(17(10)22)8-12-4-3-7-18-9-12/h3-7,9,21-22H,8H2,1-2H3,(H,19,20)
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n/an/a 970n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010949
PNG
(8-Pyridin-3-yl-8-(2,4,5-trimethyl-3,6-dioxo-cycloh...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCCC(O)=O)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C22H27NO4/c1-14-15(2)22(27)20(16(3)21(14)26)18(17-9-8-12-23-13-17)10-6-4-5-7-11-19(24)25/h8-10,12-13,26-27H,4-7,11H2,1-3H3,(H,24,25)
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n/an/a 990n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Reduction of lipid peroxide formed in rat brain homogenates.


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010944
PNG
(2-(5-Hydroxy-1-pyridin-3-yl-pentyl)-3,5,6-trimethy...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCO)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C19H23NO3/c1-12-13(2)19(23)17(14(3)18(12)22)16(8-4-5-10-21)15-7-6-9-20-11-15/h6-9,11,21-23H,4-5,10H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010951
PNG
(Acetic acid 5-pyridin-3-yl-5-(2,4,5-trimethyl-3,6-...)
Show SMILES CC(=O)OCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C21H25NO4/c1-13-14(2)21(25)19(15(3)20(13)24)18(17-8-7-10-22-12-17)9-5-6-11-26-16(4)23/h7-10,12,24-25H,5-6,11H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50010958
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-heptyl)-[1,4]ben...)
Show SMILES CCCCCC=C(c1cccnc1)c1c(C)c(O)c(C)c(C)c1O
Show InChI InChI=1S/C21H27NO2/c1-5-6-7-8-11-18(17-10-9-12-22-13-17)19-16(4)20(23)14(2)15(3)21(19)24/h9-13,23-24H,5-8H2,1-4H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with pla...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010959
PNG
(3-(2,5-Dimethyl-3,6-dioxo-4-pyridin-3-ylmethyl-cyc...)
Show SMILES Cc1c(O)c(C=CC(O)=O)c(C)c(O)c1Cc1cccnc1
Show InChI InChI=1S/C17H17NO4/c1-10-13(5-6-15(19)20)16(21)11(2)14(17(10)22)8-12-4-3-7-18-9-12/h3-7,9,21-22H,8H2,1-2H3,(H,19,20)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010964
PNG
(2,3-Dimethoxy-5-methyl-6-pyridin-3-ylmethyl-[1,4]b...)
Show SMILES COC1=C(OC)C(=O)C(Cc2cccnc2)=C(C)C1=O
Show InChI InChI=1S/C15H15NO4/c1-9-11(7-10-5-4-6-16-8-10)13(18)15(20-3)14(19-2)12(9)17/h4-6,8H,7H2,1-3H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010949
PNG
(8-Pyridin-3-yl-8-(2,4,5-trimethyl-3,6-dioxo-cycloh...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCCC(O)=O)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C22H27NO4/c1-14-15(2)22(27)20(16(3)21(14)26)18(17-9-8-12-23-13-17)10-6-4-5-7-11-19(24)25/h8-10,12-13,26-27H,4-7,11H2,1-3H3,(H,24,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010966
PNG
(7-Pyridin-3-yl-7-(2,4,5-trimethyl-3,6-dioxo-cycloh...)
Show SMILES Cc1c(O)c(=C)c(C(=CCCCCC(O)=O)c2cccnc2)c(O)c1=C
Show InChI InChI=1S/C21H23NO4/c1-13-14(2)21(26)19(15(3)20(13)25)17(16-8-7-11-22-12-16)9-5-4-6-10-18(23)24/h7-9,11-12,25-26H,2-6,10H2,1H3,(H,23,24)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010965
PNG
(3-(2,5-Dimethyl-3,6-dioxo-4-pyridin-3-ylmethyl-cyc...)
Show SMILES CC(=Cc1c(O)c(=C)c(Cc2cccnc2)c(O)c1=C)C(O)=O
Show InChI InChI=1S/C18H17NO4/c1-10(18(22)23)7-14-11(2)17(21)15(12(3)16(14)20)8-13-5-4-6-19-9-13/h4-7,9,20-21H,2-3,8H2,1H3,(H,22,23)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010950
PNG
(3-(2,5-Dimethyl-3,6-dioxo-4-pyridin-3-ylmethyl-cyc...)
Show SMILES OC(=O)C=Cc1c(O)c(=C)c(Cc2cccnc2)c(O)c1=C
Show InChI InChI=1S/C17H15NO4/c1-10-13(5-6-15(19)20)16(21)11(2)14(17(10)22)8-12-4-3-7-18-9-12/h3-7,9,21-22H,1-2,8H2,(H,19,20)
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n/an/a 8.80E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010970
PNG
(7-Pyridin-3-yl-7-(2,4,5-trimethyl-3,6-dioxo-cycloh...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCCC(O)=O)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C21H25NO4/c1-13-14(2)21(26)19(15(3)20(13)25)17(16-8-7-11-22-12-16)9-5-4-6-10-18(23)24/h7-9,11-12,25-26H,4-6,10H2,1-3H3,(H,23,24)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010954
PNG
(2,3,5-Trimethyl-6-(1-pyridin-3-yl-ethyl)-[1,4]benz...)
Show SMILES Cc1c(C)c(O)c(C(=C)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C16H17NO2/c1-9-10(2)16(19)14(12(4)15(9)18)11(3)13-6-5-7-17-8-13/h5-8,18-19H,3H2,1-2,4H3
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n/an/a 9.50E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010947
PNG
(6-Pyridin-3-yl-6-(2,4,5-trimethyl-3,6-dioxo-cycloh...)
Show SMILES Cc1c(C)c(O)c(C(=CCCCC(O)=O)c2cccnc2)c(C)c1O
Show InChI InChI=1S/C20H23NO4/c1-12-13(2)20(25)18(14(3)19(12)24)16(8-4-5-9-17(22)23)15-7-6-10-21-11-15/h6-8,10-11,24-25H,4-5,9H2,1-3H3,(H,22,23)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010967
PNG
(3-{3-[Pyridin-3-yl-(2,4,5-trimethyl-3,6-dioxo-cycl...)
Show SMILES Cc1c(O)c(=C(c2cccnc2)c2cccc(C=CC(O)=O)c2)c(C)c(O)c1=C
Show InChI InChI=1S/C24H21NO4/c1-14-15(2)24(29)21(16(3)23(14)28)22(19-8-5-11-25-13-19)18-7-4-6-17(12-18)9-10-20(26)27/h4-13,28-29H,1H2,2-3H3,(H,26,27)
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n/an/a 8.70E+4n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010957
PNG
(2-Methyl-3-{2-[pyridin-3-yl-(2,4,5-trimethyl-3,6-d...)
Show SMILES CC(=Cc1cccc(c1)C(c1cccnc1)=c1c(C)c(O)c(=C)c(C)c1O)C(O)=O
Show InChI InChI=1S/C25H23NO4/c1-14(25(29)30)11-18-7-5-8-19(12-18)22(20-9-6-10-26-13-20)21-17(4)23(27)15(2)16(3)24(21)28/h5-13,27-28H,2H2,1,3-4H3,(H,29,30)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50010969
PNG
(3-{3-[Pyridin-3-yl-(2,4,5-trimethyl-3,6-dioxo-cycl...)
Show SMILES Cc1c(O)c(=C(c2cccnc2)c2cccc(CCC(O)=O)c2)c(C)c(O)c1=C
Show InChI InChI=1S/C24H23NO4/c1-14-15(2)24(29)21(16(3)23(14)28)22(19-8-5-11-25-13-19)18-7-4-6-17(12-18)9-10-20(26)27/h4-8,11-13,28-29H,1,9-10H2,2-3H3,(H,26,27)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%